CID 66572

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

Structural Information

Molecular Formula
C24H18N2O3
SMILES
COC1=CC=C(C=C1)NC(=O)C2=C(C=C3C(=C2)C=CC4=C3NC5=CC=CC=C45)O
InChI
InChI=1S/C24H18N2O3/c1-29-16-9-7-15(8-10-16)25-24(28)20-12-14-6-11-18-17-4-2-3-5-21(17)26-23(18)19(14)13-22(20)27/h2-13,26-27H,1H3,(H,25,28)
InChIKey
HRNSEOMPRWUKQL-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(4-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

98
Patents

382.13174 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13902 188.5
[M+Na]+ 405.12096 198.5
[M-H]- 381.12446 195.4
[M+NH4]+ 400.16556 202.0
[M+K]+ 421.09490 191.0
[M+H-H2O]+ 365.12900 179.6
[M+HCOO]- 427.12994 208.2
[M+CH3COO]- 441.14559 198.7
[M+Na-2H]- 403.10641 194.5
[M]+ 382.13119 191.8
[M]- 382.13229 191.8
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