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 157.9
[M+Na]+ 278.06667 163.9
[M-H]- 254.07017 162.4
[M+NH4]+ 273.11127 175.2
[M+K]+ 294.04061 161.4
[M+H-H2O]+ 238.07471 151.6
[M+HCOO]- 300.07565 179.1
[M+CH3COO]- 314.09130 202.1
[M+Na-2H]- 276.05212 160.3
[M]+ 255.07690 159.0
[M]- 255.07800 159.0
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