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

3
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

patents stripe