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]+ 256.08473 157.4
[M+Na]+ 278.06667 163.7
[M-H]- 254.07017 161.8
[M+NH4]+ 273.11127 174.8
[M+K]+ 294.04061 160.6
[M+H-H2O]+ 238.07471 151.0
[M+HCOO]- 300.07565 179.6
[M+CH3COO]- 314.09130 201.2
[M+Na-2H]- 276.05212 161.1
[M]+ 255.07690 159.1
[M]- 255.07800 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.