CID 71366829

500786-01-6

Structural Information

Molecular Formula
C19H15N3O2
SMILES
CC(=O)ONC1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=NC=C4
InChI
InChI=1S/C19H15N3O2/c1-13(23)24-21-14-6-8-15(9-7-14)22-18-5-3-2-4-16(18)17-10-11-20-12-19(17)22/h2-12,21H,1H3
InChIKey
DJMGXUFTFWIYEZ-UHFFFAOYSA-N
Compound name
(4-pyrido[3,4-b]indol-9-ylanilino) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.11642 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.123696 172.3
[M+Na]+ 340.105638 181.9
[M-H]- 316.109144 179.1
[M+NH4]+ 335.150243 187.4
[M+K]+ 356.079578 176.2
[M+H-H2O]+ 300.113680 162.7
[M+HCOO]- 362.114621 194.5
[M+CH3COO]- 376.130271 183.9
[M+Na-2H]- 338.091086 179.2
[M]+ 317.11587142 175.7
[M]- 317.11696858 175.7
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

No patent data available for this compound.