PubChemLite - 131848-98-1 (C28H28N4O2)

Structural Information

Molecular Formula

SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CC(CCN5C6=CC=CC=C64)CN(C)C

InChI

InChI=1S/C28H28N4O2/c1-30(2)15-17-12-13-32-22-11-7-5-9-19(22)24(23(32)14-17)26-25(27(33)29-28(26)34)20-16-31(3)21-10-6-4-8-18(20)21/h4-11,16-17H,12-15H2,1-3H3,(H,29,33,34)

InChIKey

FXGHOAZJQNLNFD-UHFFFAOYSA-N

Compound name

3-[8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

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]+	453.22850	211.5
[M+Na]+	475.21044	220.9
[M-H]-	451.21394	222.3
[M+NH4]+	470.25504	224.5
[M+K]+	491.18438	213.4
[M+H-H2O]+	435.21848	202.5
[M+HCOO]-	497.21942	228.8
[M+CH3COO]-	511.23507	220.7
[M+Na-2H]-	473.19589	206.3
[M]+	452.22067	215.0
[M]-	452.22177	215.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.22850

211.5

[M+Na]+

475.21044

220.9

[M-H]-

451.21394

222.3

[M+NH4]+

470.25504

224.5

[M+K]+

491.18438

213.4

[M+H-H2O]+

435.21848

202.5

[M+HCOO]-

497.21942

228.8

[M+CH3COO]-

511.23507

220.7

[M+Na-2H]-

473.19589

206.3

[M]+

452.22067

215.0

[M]-

452.22177

215.0

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

131848-98-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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