CID 25323416

2126161-23-5

Structural Information

Molecular Formula
C13H15ClN2O2
SMILES
C1CC1NC(=O)C2=CC=CC=C2NC(=O)CCCl
InChI
InChI=1S/C13H15ClN2O2/c14-8-7-12(17)16-11-4-2-1-3-10(11)13(18)15-9-5-6-9/h1-4,9H,5-8H2,(H,15,18)(H,16,17)
InChIKey
TXSSUOVDJSDRFN-UHFFFAOYSA-N
Compound name
2-(3-chloropropanoylamino)-N-cyclopropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0822 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08948 154.0
[M+Na]+ 289.07142 161.4
[M-H]- 265.07492 161.0
[M+NH4]+ 284.11602 166.0
[M+K]+ 305.04536 156.2
[M+H-H2O]+ 249.07946 147.7
[M+HCOO]- 311.08040 174.4
[M+CH3COO]- 325.09605 201.8
[M+Na-2H]- 287.05687 158.0
[M]+ 266.08165 157.6
[M]- 266.08275 157.6
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.