CID 16226870

923778-56-7

Structural Information

Molecular Formula
C15H15ClN2O3
SMILES
CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)CCl
InChI
InChI=1S/C15H15ClN2O3/c1-18(14(19)9-16)13-7-3-2-6-12(13)15(20)17-10-11-5-4-8-21-11/h2-8H,9-10H2,1H3,(H,17,20)
InChIKey
FPZCYIRLKMXFRH-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)-methylamino]-N-(furan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.07712 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08440 172.5
[M+Na]+ 329.06634 178.6
[M-H]- 305.06984 181.1
[M+NH4]+ 324.11094 188.3
[M+K]+ 345.04028 176.4
[M+H-H2O]+ 289.07438 165.2
[M+HCOO]- 351.07532 193.3
[M+CH3COO]- 365.09097 208.0
[M+Na-2H]- 327.05179 174.6
[M]+ 306.07657 177.2
[M]- 306.07767 177.2
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.