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]+ 334.060746 168.3
[M+Na]+ 356.042688 175.9
[M-H]- 332.046194 172.1
[M+NH4]+ 351.087293 183.7
[M+K]+ 372.016628 173.0
[M+H-H2O]+ 316.050730 164.6
[M+HCOO]- 378.051671 179.0
[M+CH3COO]- 392.067321 209.9
[M+Na-2H]- 354.028136 168.5
[M]+ 333.05292142 174.9
[M]- 333.05401858 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.