CID 3054224

Brn 2868446

Structural Information

Molecular Formula
C12H14Cl2N2O3
SMILES
CC(C)(C(=O)OC)NC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H14Cl2N2O3/c1-12(2,10(17)19-3)16-11(18)15-7-4-5-8(13)9(14)6-7/h4-6H,1-3H3,(H2,15,16,18)
InChIKey
OPJBGPLFQIPODW-UHFFFAOYSA-N
Compound name
methyl 2-[(3,4-dichlorophenyl)carbamoylamino]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

304.03815 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04543 165.3
[M+Na]+ 327.02737 173.2
[M-H]- 303.03087 168.8
[M+NH4]+ 322.07197 181.5
[M+K]+ 343.00131 169.0
[M+H-H2O]+ 287.03541 161.0
[M+HCOO]- 349.03635 179.0
[M+CH3COO]- 363.05200 205.2
[M+Na-2H]- 325.01282 168.3
[M]+ 304.03760 169.8
[M]- 304.03870 169.8
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