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]+ 318.12370 172.3
[M+Na]+ 340.10564 181.9
[M-H]- 316.10914 179.1
[M+NH4]+ 335.15024 187.4
[M+K]+ 356.07958 176.2
[M+H-H2O]+ 300.11368 162.7
[M+HCOO]- 362.11462 194.5
[M+CH3COO]- 376.13027 183.9
[M+Na-2H]- 338.09109 179.2
[M]+ 317.11587 175.7
[M]- 317.11697 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.