CID 42940863

3-(2-chloropropanoyl)-1-(2,4-dimethylphenyl)urea

Structural Information

Molecular Formula
C12H15ClN2O2
SMILES
CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)Cl)C
InChI
InChI=1S/C12H15ClN2O2/c1-7-4-5-10(8(2)6-7)14-12(17)15-11(16)9(3)13/h4-6,9H,1-3H3,(H2,14,15,16,17)
InChIKey
GNTGXHMDPYNLPZ-UHFFFAOYSA-N
Compound name
2-chloro-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0822 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08948 157.3
[M+Na]+ 277.07142 164.3
[M-H]- 253.07492 161.2
[M+NH4]+ 272.11602 175.0
[M+K]+ 293.04536 161.0
[M+H-H2O]+ 237.07946 151.9
[M+HCOO]- 299.08040 176.4
[M+CH3COO]- 313.09605 199.3
[M+Na-2H]- 275.05687 158.8
[M]+ 254.08165 159.1
[M]- 254.08275 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.