CID 39869353

4-(3-chloropropanamido)-n-(2-methoxyphenyl)benzamide

Structural Information

Molecular Formula
C17H17ClN2O3
SMILES
COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CCCl
InChI
InChI=1S/C17H17ClN2O3/c1-23-15-5-3-2-4-14(15)20-17(22)12-6-8-13(9-7-12)19-16(21)10-11-18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKey
MENKXUADSDWIPB-UHFFFAOYSA-N
Compound name
4-(3-chloropropanoylamino)-N-(2-methoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.09277 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.100046 176.2
[M+Na]+ 355.081988 182.2
[M-H]- 331.085494 182.6
[M+NH4]+ 350.126593 190.0
[M+K]+ 371.055928 177.5
[M+H-H2O]+ 315.090030 168.4
[M+HCOO]- 377.090971 196.1
[M+CH3COO]- 391.106621 211.9
[M+Na-2H]- 353.067436 179.1
[M]+ 332.09222142 179.5
[M]- 332.09331858 179.5
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.