CID 294284

Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-

Structural Information

Molecular Formula
C11H12ClN3O
SMILES
C1=CC=C(C=C1)C(C#N)NC(=O)NCCCl
InChI
InChI=1S/C11H12ClN3O/c12-6-7-14-11(16)15-10(8-13)9-4-2-1-3-5-9/h1-5,10H,6-7H2,(H2,14,15,16)
InChIKey
OOFLZNYWYLBUQX-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[cyano(phenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0669 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07418 155.3
[M+Na]+ 260.05612 165.2
[M+NH4]+ 255.10072 159.4
[M+K]+ 276.03006 155.8
[M-H]- 236.05962 150.3
[M+Na-2H]- 258.04157 158.5
[M]+ 237.06635 154.5
[M]- 237.06745 154.5
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.