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

15
Patents

187.05124 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.058516 137.1
[M+Na]+ 210.040458 146.6
[M-H]- 186.043964 136.9
[M+NH4]+ 205.085063 154.5
[M+K]+ 226.014398 142.5
[M+H-H2O]+ 170.048500 130.7
[M+HCOO]- 232.049441 154.7
[M+CH3COO]- 246.065091 181.0
[M+Na-2H]- 208.025906 144.3
[M]+ 187.05069142 138.6
[M]- 187.05178858 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