CID 56601461

Marinacarboline c

Structural Information

Molecular Formula
C22H19N3O2
SMILES
CC(=O)C1=C2C(=CC(=N1)C(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4N2
InChI
InChI=1S/C22H19N3O2/c1-14(26)20-21-17(16-9-5-6-10-18(16)24-21)13-19(25-20)22(27)23-12-11-15-7-3-2-4-8-15/h2-10,13,24H,11-12H2,1H3,(H,23,27)
InChIKey
QPUYCBSQXKSFOO-UHFFFAOYSA-N
Compound name
1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

357.14774 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15502 185.1
[M+Na]+ 380.13696 192.7
[M-H]- 356.14046 190.0
[M+NH4]+ 375.18156 197.5
[M+K]+ 396.11090 185.6
[M+H-H2O]+ 340.14500 175.5
[M+HCOO]- 402.14594 203.9
[M+CH3COO]- 416.16159 194.6
[M+Na-2H]- 378.12241 188.9
[M]+ 357.14719 186.3
[M]- 357.14829 186.3
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.