CID 99809

17795-78-7

Structural Information

Molecular Formula
C13H17ClN2O3
SMILES
CCCC(C(=O)NC1=CC(=CC=C1)OC(=O)NC)Cl
InChI
InChI=1S/C13H17ClN2O3/c1-3-5-11(14)12(17)16-9-6-4-7-10(8-9)19-13(18)15-2/h4,6-8,11H,3,5H2,1-2H3,(H,15,18)(H,16,17)
InChIKey
NQBGKYBWYMRQHD-UHFFFAOYSA-N
Compound name
[3-(2-chloropentanoylamino)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09277 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10005 164.8
[M+Na]+ 307.08199 170.3
[M-H]- 283.08549 168.1
[M+NH4]+ 302.12659 180.8
[M+K]+ 323.05593 167.3
[M+H-H2O]+ 267.09003 158.6
[M+HCOO]- 329.09097 183.8
[M+CH3COO]- 343.10662 203.2
[M+Na-2H]- 305.06744 166.6
[M]+ 284.09222 168.0
[M]- 284.09332 168.0
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