CID 2817390

4-(difluoromethoxy)-6-methylpyrimidin-2-amine

Structural Information

Molecular Formula
C6H7F2N3O
SMILES
CC1=CC(=NC(=N1)N)OC(F)F
InChI
InChI=1S/C6H7F2N3O/c1-3-2-4(12-5(7)8)11-6(9)10-3/h2,5H,1H3,(H2,9,10,11)
InChIKey
VPSDEDHCJRKTQB-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-6-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

175.05573 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06301 132.0
[M+Na]+ 198.04495 141.6
[M-H]- 174.04845 130.5
[M+NH4]+ 193.08955 149.3
[M+K]+ 214.01889 139.7
[M+H-H2O]+ 158.05299 123.1
[M+HCOO]- 220.05393 152.5
[M+CH3COO]- 234.06958 182.4
[M+Na-2H]- 196.03040 137.3
[M]+ 175.05518 129.4
[M]- 175.05628 129.4
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