CID 307426

4-chloro-n-(2,5-dimethoxyphenyl)benzamide

Structural Information

Molecular Formula
C15H14ClNO3
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H14ClNO3/c1-19-12-7-8-14(20-2)13(9-12)17-15(18)10-3-5-11(16)6-4-10/h3-9H,1-2H3,(H,17,18)
InChIKey
HCVYUDNPZQUVRH-UHFFFAOYSA-N
Compound name
4-chloro-N-(2,5-dimethoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

4
Patents

291.06622 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07350 163.3
[M+Na]+ 314.05544 172.1
[M-H]- 290.05894 170.5
[M+NH4]+ 309.10004 179.6
[M+K]+ 330.02938 167.8
[M+H-H2O]+ 274.06348 156.4
[M+HCOO]- 336.06442 183.7
[M+CH3COO]- 350.08007 202.6
[M+Na-2H]- 312.04089 167.4
[M]+ 291.06567 168.4
[M]- 291.06677 168.4
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