CID 25918906

2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-1-ethanol

Structural Information

Molecular Formula
C7H10ClN3O
SMILES
CC1=NC(=CC(=N1)Cl)NCCO
InChI
InChI=1S/C7H10ClN3O/c1-5-10-6(8)4-7(11-5)9-2-3-12/h4,12H,2-3H2,1H3,(H,9,10,11)
InChIKey
ZGGCITTWLSUFPP-UHFFFAOYSA-N
Compound name
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

187.05124 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05852 137.1
[M+Na]+ 210.04046 146.6
[M-H]- 186.04396 136.9
[M+NH4]+ 205.08506 154.5
[M+K]+ 226.01440 142.5
[M+H-H2O]+ 170.04850 130.7
[M+HCOO]- 232.04944 154.7
[M+CH3COO]- 246.06509 181.0
[M+Na-2H]- 208.02591 144.3
[M]+ 187.05069 138.6
[M]- 187.05179 138.6
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