CID 79920

5840-22-2

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
2
Annotation Hits

0
References

110
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 196.6
[M+Na]+ 419.13662 213.8
[M+NH4]+ 414.18122 204.9
[M+K]+ 435.11056 206.3
[M-H]- 395.14012 202.4
[M+Na-2H]- 417.12207 203.9
[M]+ 396.14685 200.9
[M]- 396.14795 200.9
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