CID 79920

11h-benzo[a]carbazole-3-carboxamide, 2-hydroxy-n-(4-methoxy-2-methylphenyl)-

Structural Information

Molecular Formula
C25H20N2O3
SMILES
CC1=C(C=CC(=C1)OC)NC(=O)C2=C(C=C3C(=C2)C=CC4=C3NC5=CC=CC=C45)O
InChI
InChI=1S/C25H20N2O3/c1-14-11-16(30-2)8-10-21(14)27-25(29)20-12-15-7-9-18-17-5-3-4-6-22(17)26-24(18)19(15)13-23(20)28/h3-13,26,28H,1-2H3,(H,27,29)
InChIKey
GMGDWNYWMLZUEF-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(4-methoxy-2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

101
Patents

396.1474 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.154676 194.3
[M+Na]+ 419.136618 204.6
[M-H]- 395.140124 201.4
[M+NH4]+ 414.181223 207.4
[M+K]+ 435.110558 197.0
[M+H-H2O]+ 379.144660 185.3
[M+HCOO]- 441.145601 213.5
[M+CH3COO]- 455.161251 204.3
[M+Na-2H]- 417.122066 198.9
[M]+ 396.14685142 198.3
[M]- 396.14794858 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe