CID 56935490

1350653-00-7

Structural Information

Molecular Formula
C21H17N3O3
SMILES
C1C(NC(C2=C1C3=CC=CC=C3N2)C(=O)C4=CNC5=CC=CC=C54)C(=O)O
InChI
InChI=1S/C21H17N3O3/c25-20(14-10-22-15-7-3-1-6-12(14)15)19-18-13(9-17(24-19)21(26)27)11-5-2-4-8-16(11)23-18/h1-8,10,17,19,22-24H,9H2,(H,26,27)
InChIKey
FLQPGFXSRZDLGC-UHFFFAOYSA-N
Compound name
1-(1H-indole-3-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.12698 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13426 181.4
[M+Na]+ 382.11620 189.6
[M-H]- 358.11970 183.2
[M+NH4]+ 377.16080 193.5
[M+K]+ 398.09014 181.4
[M+H-H2O]+ 342.12424 173.8
[M+HCOO]- 404.12518 193.1
[M+CH3COO]- 418.14083 189.7
[M+Na-2H]- 380.10165 182.2
[M]+ 359.12643 178.8
[M]- 359.12753 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.