CID 66830

Fast violet b

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)N
InChI
InChI=1S/C15H16N2O2/c1-10-8-12(16)14(19-2)9-13(10)17-15(18)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey
VENDXQNWODZJGB-UHFFFAOYSA-N
Compound name
N-(4-amino-5-methoxy-2-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

7724
Patents

256.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.128476 158.6
[M+Na]+ 279.110418 165.9
[M-H]- 255.113924 165.4
[M+NH4]+ 274.155023 174.9
[M+K]+ 295.084358 162.5
[M+H-H2O]+ 239.118460 150.8
[M+HCOO]- 301.119401 183.7
[M+CH3COO]- 315.135051 201.4
[M+Na-2H]- 277.095866 162.5
[M]+ 256.12065142 158.3
[M]- 256.12174858 158.3
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