CID 3855719

4-(2-chloropropanamido)-n-(2-methoxyphenyl)benzamide

Structural Information

Molecular Formula
C17H17ClN2O3
SMILES
CC(C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC)Cl
InChI
InChI=1S/C17H17ClN2O3/c1-11(18)16(21)19-13-9-7-12(8-10-13)17(22)20-14-5-3-4-6-15(14)23-2/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKey
HZMBAZOVOPNGLA-UHFFFAOYSA-N
Compound name
4-(2-chloropropanoylamino)-N-(2-methoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.09277 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10005 176.1
[M+Na]+ 355.08199 181.9
[M-H]- 331.08549 182.7
[M+NH4]+ 350.12659 189.8
[M+K]+ 371.05593 177.8
[M+H-H2O]+ 315.09003 168.6
[M+HCOO]- 377.09097 195.1
[M+CH3COO]- 391.10662 212.9
[M+Na-2H]- 353.06744 177.9
[M]+ 332.09222 178.9
[M]- 332.09332 178.9
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

No patent data available for this compound.