CID 44976

63884-90-2

Structural Information

Molecular Formula
C13H17ClN2O3
SMILES
CCN(CCCl)C(=O)OC1=CC(=C(C(=C1)C)N=O)C
InChI
InChI=1S/C13H17ClN2O3/c1-4-16(6-5-14)13(17)19-11-7-9(2)12(15-18)10(3)8-11/h7-8H,4-6H2,1-3H3
InChIKey
JPXXVPJIMCOOSD-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-4-nitrosophenyl) N-(2-chloroethyl)-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09277 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.100046 163.2
[M+Na]+ 307.081988 171.6
[M-H]- 283.085494 169.9
[M+NH4]+ 302.126593 181.3
[M+K]+ 323.055928 169.9
[M+H-H2O]+ 267.090030 156.8
[M+HCOO]- 329.090971 186.0
[M+CH3COO]- 343.106621 210.4
[M+Na-2H]- 305.067436 165.8
[M]+ 284.09222142 171.6
[M]- 284.09331858 171.6
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.