CID 56598999

Marinacarboline a

Structural Information

Molecular Formula
C23H21N3O3
SMILES
CC(=O)C1=C2C(=CC(=N1)C(=O)NCCC3=CC=C(C=C3)OC)C4=CC=CC=C4N2
InChI
InChI=1S/C23H21N3O3/c1-14(27)21-22-18(17-5-3-4-6-19(17)25-22)13-20(26-21)23(28)24-12-11-15-7-9-16(29-2)10-8-15/h3-10,13,25H,11-12H2,1-2H3,(H,24,28)
InChIKey
VKJCZWWGRIELQT-UHFFFAOYSA-N
Compound name
1-acetyl-N-[2-(4-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

387.1583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16558 193.1
[M+Na]+ 410.14752 200.8
[M-H]- 386.15102 198.2
[M+NH4]+ 405.19212 204.4
[M+K]+ 426.12146 194.4
[M+H-H2O]+ 370.15556 183.3
[M+HCOO]- 432.15650 211.6
[M+CH3COO]- 446.17215 202.2
[M+Na-2H]- 408.13297 195.8
[M]+ 387.15775 196.4
[M]- 387.15885 196.4
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.