PubChemLite - 131848-97-0 (C26H24N4O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H24N4O2/c1-29-14-18(16-6-2-4-8-19(16)29)23-24(26(32)28-25(23)31)22-17-7-3-5-9-20(17)30-11-10-15(13-27)12-21(22)30/h2-9,14-15H,10-13,27H2,1H3,(H,28,31,32)

InChIKey

QQKKPWJFHBFCTH-UHFFFAOYSA-N

Compound name

3-[8-(aminomethyl)-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]+	425.19718	203.7
[M+Na]+	447.17912	218.1
[M+NH4]+	442.22372	211.1
[M+K]+	463.15306	215.5
[M-H]-	423.18262	209.3
[M+Na-2H]-	445.16457	208.1
[M]+	424.18935	207.3
[M]-	424.19045	207.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.19718

203.7

[M+Na]+

447.17912

218.1

[M+NH4]+

442.22372

211.1

[M+K]+

463.15306

215.5

[M-H]-

423.18262

209.3

[M+Na-2H]-

445.16457

208.1

[M]+

424.18935

207.3

[M]-

424.19045

207.3

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

131848-97-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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