CID 59387

C 3211

Structural Information

Molecular Formula
C14H15ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)CNCC2=CC=CO2
InChI
InChI=1S/C14H15ClN2O2/c1-10-4-2-6-12(15)14(10)17-13(18)9-16-8-11-5-3-7-19-11/h2-7,16H,8-9H2,1H3,(H,17,18)
InChIKey
SNJKPNWQBYVUBA-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-(furan-2-ylmethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0822 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08948 165.0
[M+Na]+ 301.07142 172.4
[M-H]- 277.07492 172.5
[M+NH4]+ 296.11602 181.8
[M+K]+ 317.04536 168.5
[M+H-H2O]+ 261.07946 158.2
[M+HCOO]- 323.08040 186.2
[M+CH3COO]- 337.09605 201.3
[M+Na-2H]- 299.05687 168.8
[M]+ 278.08165 168.4
[M]- 278.08275 168.4
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

No patent data available for this compound.