CID 9571610

Nsc687218

Structural Information

Molecular Formula
C11H14ClN3O2
SMILES
CCOC(=O)N/N=C(/CC1=CC=C(C=C1)Cl)\N
InChI
InChI=1S/C11H14ClN3O2/c1-2-17-11(16)15-14-10(13)7-8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H2,13,14)(H,15,16)
InChIKey
UITRHEIFIHKHMM-UHFFFAOYSA-N
Compound name
ethyl N-[(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.07745 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.084726 157.4
[M+Na]+ 278.066668 163.7
[M-H]- 254.070174 161.8
[M+NH4]+ 273.111273 174.8
[M+K]+ 294.040608 160.6
[M+H-H2O]+ 238.074710 151.0
[M+HCOO]- 300.075651 179.6
[M+CH3COO]- 314.091301 201.2
[M+Na-2H]- 276.052116 161.1
[M]+ 255.07690142 159.1
[M]- 255.07799858 159.1
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.