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]+ 307.084396 172.5
[M+Na]+ 329.066338 177.6
[M-H]- 305.069844 180.7
[M+NH4]+ 324.110943 187.9
[M+K]+ 345.040278 175.5
[M+H-H2O]+ 289.074380 164.9
[M+HCOO]- 351.075321 193.3
[M+CH3COO]- 365.090971 206.8
[M+Na-2H]- 327.051786 175.3
[M]+ 306.07657142 176.8
[M]- 306.07766858 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.