CID 217253

Brn 2864364

Structural Information

Molecular Formula
C12H18Cl2N2O3
SMILES
CC(CO)(CO)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C12H18Cl2N2O3/c1-12(5-17,6-18)16-4-10(19)7-2-8(13)11(15)9(14)3-7/h2-3,10,16-19H,4-6,15H2,1H3
InChIKey
KZEHRULXJCHZIT-UHFFFAOYSA-N
Compound name
2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.06946 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.076736 167.0
[M+Na]+ 331.058678 173.8
[M-H]- 307.062184 166.0
[M+NH4]+ 326.103283 180.9
[M+K]+ 347.032618 167.8
[M+H-H2O]+ 291.066720 163.6
[M+HCOO]- 353.067661 176.2
[M+CH3COO]- 367.083311 201.9
[M+Na-2H]- 329.044126 168.1
[M]+ 308.06891142 167.5
[M]- 308.07000858 167.5
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