CID 64146411

1404824-58-3

Structural Information

Molecular Formula
C14H17Cl2NO4
SMILES
CC(C)(C)OC(=O)N(C)C(C1=C(C(=CC=C1)Cl)Cl)C(=O)O
InChI
InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17(4)11(12(18)19)8-6-5-7-9(15)10(8)16/h5-7,11H,1-4H3,(H,18,19)
InChIKey
ZTCFCPXMNLBKKH-UHFFFAOYSA-N
Compound name
2-(2,3-dichlorophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.05347 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06075 168.3
[M+Na]+ 356.04269 175.9
[M-H]- 332.04619 172.1
[M+NH4]+ 351.08729 183.7
[M+K]+ 372.01663 173.0
[M+H-H2O]+ 316.05073 164.6
[M+HCOO]- 378.05167 179.0
[M+CH3COO]- 392.06732 209.9
[M+Na-2H]- 354.02814 168.5
[M]+ 333.05292 174.9
[M]- 333.05402 174.9
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.