CID 56599000

Marinacarboline b

Structural Information

Molecular Formula
C22H19N3O3
SMILES
CC(=O)C1=C2C(=CC(=N1)C(=O)NCCC3=CC=C(C=C3)O)C4=CC=CC=C4N2
InChI
InChI=1S/C22H19N3O3/c1-13(26)20-21-17(16-4-2-3-5-18(16)24-21)12-19(25-20)22(28)23-11-10-14-6-8-15(27)9-7-14/h2-9,12,24,27H,10-11H2,1H3,(H,23,28)
InChIKey
XHHABJFVNYNXCX-UHFFFAOYSA-N
Compound name
1-acetyl-N-[2-(4-hydroxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

373.14264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14992 188.1
[M+Na]+ 396.13186 196.0
[M-H]- 372.13536 192.2
[M+NH4]+ 391.17646 199.4
[M+K]+ 412.10580 189.1
[M+H-H2O]+ 356.13990 179.0
[M+HCOO]- 418.14084 205.6
[M+CH3COO]- 432.15649 197.2
[M+Na-2H]- 394.11731 191.1
[M]+ 373.14209 189.5
[M]- 373.14319 189.5
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.