CID 7131855

874623-33-3

Structural Information

Molecular Formula
C15H15ClN2O3
SMILES
C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CO2)C(=O)CCl
InChI
InChI=1S/C15H15ClN2O3/c16-9-15(20)18(10-13-7-4-8-21-13)11-14(19)17-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,17,19)
InChIKey
FUGCVNJWHBWSQC-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-phenylacetamide
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 177.6
[M-H]- 305.06984 180.7
[M+NH4]+ 324.11094 187.9
[M+K]+ 345.04028 175.5
[M+H-H2O]+ 289.07438 164.9
[M+HCOO]- 351.07532 193.3
[M+CH3COO]- 365.09097 206.8
[M+Na-2H]- 327.05179 175.3
[M]+ 306.07657 176.8
[M]- 306.07767 176.8
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.