CID 53471483

2-(trifluoromethyl)-5h,6h,7h,8h-pyrido[4,3-d]pyrimidine

Structural Information

Molecular Formula
C8H8F3N3
SMILES
C1CNCC2=CN=C(N=C21)C(F)(F)F
InChI
InChI=1S/C8H8F3N3/c9-8(10,11)7-13-4-5-3-12-2-1-6(5)14-7/h4,12H,1-3H2
InChIKey
CKMCVIMYBWEVKX-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

203.06703 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07431 141.6
[M+Na]+ 226.05625 150.2
[M-H]- 202.05975 136.4
[M+NH4]+ 221.10085 156.9
[M+K]+ 242.03019 145.6
[M+H-H2O]+ 186.06429 131.4
[M+HCOO]- 248.06523 153.1
[M+CH3COO]- 262.08088 181.1
[M+Na-2H]- 224.04170 149.1
[M]+ 203.06648 133.2
[M]- 203.06758 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe