CID 5388338

Nsc634795

Structural Information

Molecular Formula
C9H10ClN3O
SMILES
C/C(=N/NC(=O)N)/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H10ClN3O/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6-
InChIKey
NRVQPAZCFBJKNE-SDQBBNPISA-N
Compound name
[(Z)-1-(4-chlorophenyl)ethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.05124 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05852 145.6
[M+Na]+ 234.04046 152.7
[M-H]- 210.04396 150.2
[M+NH4]+ 229.08506 164.7
[M+K]+ 250.01440 149.5
[M+H-H2O]+ 194.04850 139.7
[M+HCOO]- 256.04944 168.2
[M+CH3COO]- 270.06509 193.7
[M+Na-2H]- 232.02591 150.2
[M]+ 211.05069 145.2
[M]- 211.05179 145.2
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

No patent data available for this compound.