CID 9361761

117459-38-8

Structural Information

Molecular Formula
C14H13ClN2O3
SMILES
C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)CCl
InChI
InChI=1S/C14H13ClN2O3/c15-8-13(18)17-12-6-2-1-5-11(12)14(19)16-9-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,19)(H,17,18)
InChIKey
XKCUEYYBBXOLDO-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]-N-(furan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.06146 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06874 167.3
[M+Na]+ 315.05068 173.7
[M-H]- 291.05418 174.6
[M+NH4]+ 310.09528 183.0
[M+K]+ 331.02462 170.3
[M+H-H2O]+ 275.05872 160.3
[M+HCOO]- 337.05966 187.9
[M+CH3COO]- 351.07531 201.7
[M+Na-2H]- 313.03613 170.7
[M]+ 292.06091 170.4
[M]- 292.06201 170.4
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

patents stripe