PubChemLite - 68360-94-1 (C30H41N3O5)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCOC(=O)COC1=CC2=C(C=C1)N(C(=C2C(=O)OCCN(CC)CC)C)C3=CC=CC=C3

InChI

InChI=1S/C30H41N3O5/c1-6-31(7-2)17-19-36-28(34)22-38-25-15-16-27-26(21-25)29(30(35)37-20-18-32(8-3)9-4)23(5)33(27)24-13-11-10-12-14-24/h10-16,21H,6-9,17-20,22H2,1-5H3

InChIKey

UOSDZXIXOOREEM-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 5-[2-[2-(diethylamino)ethoxy]-2-oxoethoxy]-2-methyl-1-phenylindole-3-carboxylate

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]+	524.31188	234.7
[M+Na]+	546.29382	237.2
[M-H]-	522.29732	242.6
[M+NH4]+	541.33842	242.3
[M+K]+	562.26776	235.4
[M+H-H2O]+	506.30186	223.2
[M+HCOO]-	568.30280	256.2
[M+CH3COO]-	582.31845	259.0
[M+Na-2H]-	544.27927	230.7
[M]+	523.30405	247.2
[M]-	523.30515	247.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

524.31188

234.7

[M+Na]+

546.29382

237.2

[M-H]-

522.29732

242.6

[M+NH4]+

541.33842

242.3

[M+K]+

562.26776

235.4

[M+H-H2O]+

506.30186

223.2

[M+HCOO]-

568.30280

256.2

[M+CH3COO]-

582.31845

259.0

[M+Na-2H]-

544.27927

230.7

[M]+

523.30405

247.2

[M]-

523.30515

247.2

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

68360-94-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe