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 183.7
[M+Na]+ 382.11620 196.5
[M+NH4]+ 377.16080 190.0
[M+K]+ 398.09014 194.4
[M-H]- 358.11970 185.0
[M+Na-2H]- 380.10165 187.0
[M]+ 359.12643 185.6
[M]- 359.12753 185.6
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.