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

3
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

patents stripe