PubChemLite - 68842-66-0 (C24H28N2O4)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC(=C(C=C1)C2=C(C(=C3C=CC(=CC3=O)N(CC)CC)C2=O)O)O

InChI

InChI=1S/C24H28N2O4/c1-5-25(6-2)15-9-11-17(19(27)13-15)21-23(29)22(24(21)30)18-12-10-16(14-20(18)28)26(7-3)8-4/h9-14,27,29H,5-8H2,1-4H3

InChIKey

ODWFNEITXILTAS-UHFFFAOYSA-N

Compound name

3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one

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]+	409.21218	207.5
[M+Na]+	431.19412	214.3
[M+NH4]+	426.23872	208.5
[M+K]+	447.16806	209.7
[M-H]-	407.19762	209.5
[M+Na-2H]-	429.17957	209.4
[M]+	408.20435	207.6
[M]-	408.20545	207.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.21218

207.5

[M+Na]+

431.19412

214.3

[M+NH4]+

426.23872

208.5

[M+K]+

447.16806

209.7

[M-H]-

407.19762

209.5

[M+Na-2H]-

429.17957

209.4

[M]+

408.20435

207.6

[M]-

408.20545

207.6

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

68842-66-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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