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

117
Patents

396.1474 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15468 194.3
[M+Na]+ 419.13662 204.6
[M-H]- 395.14012 201.4
[M+NH4]+ 414.18122 207.4
[M+K]+ 435.11056 197.0
[M+H-H2O]+ 379.14466 185.3
[M+HCOO]- 441.14560 213.5
[M+CH3COO]- 455.16125 204.3
[M+Na-2H]- 417.12207 198.9
[M]+ 396.14685 198.3
[M]- 396.14795 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