CID 99424

17798-19-5

Structural Information

Molecular Formula
C14H19ClN2O3
SMILES
CCCC(C)(C(=O)NC1=CC(=CC=C1)OC(=O)NC)Cl
InChI
InChI=1S/C14H19ClN2O3/c1-4-8-14(2,15)12(18)17-10-6-5-7-11(9-10)20-13(19)16-3/h5-7,9H,4,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
SPJRLGBKRAHBQE-UHFFFAOYSA-N
Compound name
[3-[(2-chloro-2-methylpentanoyl)amino]phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

298.10843 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11571 168.7
[M+Na]+ 321.09765 177.9
[M+NH4]+ 316.14225 174.6
[M+K]+ 337.07159 173.1
[M-H]- 297.10115 169.3
[M+Na-2H]- 319.08310 172.9
[M]+ 298.10788 170.2
[M]- 298.10898 170.2
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

patents stripe