PubChemLite - 74032-64-7 (C42H58N4O6)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCN(CC)CC)O)O)C(C)C)O)O)C(C)C)O)O

InChI

InChI=1S/C42H58N4O6/c1-11-45(12-2)17-15-43-21-29-35-27(31(23(5)6)41(51)37(29)47)19-25(9)33(39(35)49)34-26(10)20-28-32(24(7)8)42(52)38(48)30(36(28)40(34)50)22-44-16-18-46(13-3)14-4/h19-24,47-52H,11-18H2,1-10H3

InChIKey

WQWALOPHLHWWBW-UHFFFAOYSA-N

Compound name

8-[2-(diethylamino)ethyliminomethyl]-2-[8-[2-(diethylamino)ethyliminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	715.44288	289.1
[M+Na]+	737.42482	290.9
[M-H]-	713.42832	294.1
[M+NH4]+	732.46942	287.6
[M+K]+	753.39876	289.7
[M+H-H2O]+	697.43286	277.5
[M+HCOO]-	759.43380	300.9
[M+CH3COO]-	773.44945	306.7
[M+Na-2H]-	735.41027	303.5
[M]+	714.43505	299.2
[M]-	714.43615	299.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

715.44288

289.1

[M+Na]+

737.42482

290.9

[M-H]-

713.42832

294.1

[M+NH4]+

732.46942

287.6

[M+K]+

753.39876

289.7

[M+H-H2O]+

697.43286

277.5

[M+HCOO]-

759.43380

300.9

[M+CH3COO]-

773.44945

306.7

[M+Na-2H]-

735.41027

303.5

[M]+

714.43505

299.2

[M]-

714.43615

299.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

74032-64-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe