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]+ 333.10005 176.2
[M+Na]+ 355.08199 182.2
[M-H]- 331.08549 182.6
[M+NH4]+ 350.12659 190.0
[M+K]+ 371.05593 177.5
[M+H-H2O]+ 315.09003 168.4
[M+HCOO]- 377.09097 196.1
[M+CH3COO]- 391.10662 211.9
[M+Na-2H]- 353.06744 179.1
[M]+ 332.09222 179.5
[M]- 332.09332 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.