CID 162345596

Ns00133498

Structural Information

Molecular Formula
C14H18Cl2N2O6
SMILES
C1=C(C=C(C(=C1C(=O)NC(CO)CO)Cl)Cl)C(=O)NC(CO)CO
InChI
InChI=1S/C14H18Cl2N2O6/c15-11-2-7(13(23)17-8(3-19)4-20)1-10(12(11)16)14(24)18-9(5-21)6-22/h1-2,8-9,19-22H,3-6H2,(H,17,23)(H,18,24)
InChIKey
WVNDWSDXVXQRQA-UHFFFAOYSA-N
Compound name
4,5-dichloro-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.0542 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.061476 177.7
[M+Na]+ 403.043418 182.4
[M-H]- 379.046924 175.8
[M+NH4]+ 398.088023 187.8
[M+K]+ 419.017358 177.9
[M+H-H2O]+ 363.051460 173.9
[M+HCOO]- 425.052401 185.5
[M+CH3COO]- 439.068051 212.6
[M+Na-2H]- 401.028866 174.9
[M]+ 380.05365142 179.9
[M]- 380.05474858 179.9
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.