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]+ 309.07674 167.0
[M+Na]+ 331.05868 173.8
[M-H]- 307.06218 166.0
[M+NH4]+ 326.10328 180.9
[M+K]+ 347.03262 167.8
[M+H-H2O]+ 291.06672 163.6
[M+HCOO]- 353.06766 176.2
[M+CH3COO]- 367.08331 201.9
[M+Na-2H]- 329.04413 168.1
[M]+ 308.06891 167.5
[M]- 308.07001 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