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

3
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

patents stripe