CID 3059270

76267-34-0

Structural Information

Molecular Formula
C11H14ClN3O2
SMILES
CC1=CC=CC=C1NC(=O)N(CCCl)C(=O)N
InChI
InChI=1S/C11H14ClN3O2/c1-8-4-2-3-5-9(8)14-11(17)15(7-6-12)10(13)16/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,17)
InChIKey
SGIBRCTUENYITF-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-(2-chloroethyl)-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

255.07745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08473 156.7
[M+Na]+ 278.06667 165.9
[M+NH4]+ 273.11127 163.3
[M+K]+ 294.04061 161.1
[M-H]- 254.07017 158.9
[M+Na-2H]- 276.05212 161.6
[M]+ 255.07690 158.4
[M]- 255.07800 158.4
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

patents stripe