CID 49766970

(1-methyl-9h-pyrido[3,4-b]indol-7-yl) (e)-3-phenylprop-2-enoate

Structural Information

Molecular Formula
C21H16N2O2
SMILES
CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O2/c1-14-21-18(11-12-22-14)17-9-8-16(13-19(17)23-21)25-20(24)10-7-15-5-3-2-4-6-15/h2-13,23H,1H3/b10-7+
InChIKey
RJKPRSCOBAQNOC-JXMROGBWSA-N
Compound name
(1-methyl-9H-pyrido[3,4-b]indol-7-yl) (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.1212 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12848 178.5
[M+Na]+ 351.11042 188.0
[M-H]- 327.11392 183.6
[M+NH4]+ 346.15502 192.7
[M+K]+ 367.08436 180.4
[M+H-H2O]+ 311.11846 169.1
[M+HCOO]- 373.11940 197.6
[M+CH3COO]- 387.13505 189.1
[M+Na-2H]- 349.09587 183.0
[M]+ 328.12065 180.5
[M]- 328.12175 180.5
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.