CID 150718

2490404-61-8

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C18H16N2O2/c21-18(22)15-10-13-12-8-4-5-9-14(12)19-17(13)16(20-15)11-6-2-1-3-7-11/h1-9,15-16,19-20H,10H2,(H,21,22)
InChIKey
ZJSUEWDIHUPPRO-UHFFFAOYSA-N
Compound name
1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

72
Patents

292.1212 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 168.0
[M+Na]+ 315.11042 181.9
[M+NH4]+ 310.15502 175.9
[M+K]+ 331.08436 176.4
[M-H]- 291.11392 170.8
[M+Na-2H]- 313.09587 173.8
[M]+ 292.12065 170.7
[M]- 292.12175 170.7
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

patents stripe