CID 72509

174654-98-9

Structural Information

Molecular Formula
C17H17F3N6O
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=C(C=CC(=C3)C(F)(F)F)OC)N)N
InChI
InChI=1S/C17H17F3N6O/c1-8-9(7-24-15-13(8)14(21)25-16(22)26-15)6-23-11-5-10(17(18,19)20)3-4-12(11)27-2/h3-5,7,23H,6H2,1-2H3,(H4,21,22,24,25,26)
InChIKey
XNEOAXKYJADVSI-UHFFFAOYSA-N
Compound name
6-[[2-methoxy-5-(trifluoromethyl)anilino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

378.1416 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14888 191.3
[M+Na]+ 401.13082 201.5
[M-H]- 377.13432 191.4
[M+NH4]+ 396.17542 199.5
[M+K]+ 417.10476 194.5
[M+H-H2O]+ 361.13886 178.5
[M+HCOO]- 423.13980 207.3
[M+CH3COO]- 437.15545 228.1
[M+Na-2H]- 399.11627 195.2
[M]+ 378.14105 187.8
[M]- 378.14215 187.8
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

No patent data available for this compound.