CID 54369

Piritrexim

Structural Information

Molecular Formula
C17H19N5O2
SMILES
CC1=C2C(=NC(=NC2=NC=C1CC3=C(C=CC(=C3)OC)OC)N)N
InChI
InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
InChIKey
VJXSSYDSOJBUAV-UHFFFAOYSA-N
Compound name
6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

142
References

15476
Patents

325.15387 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16115 178.9
[M+Na]+ 348.14309 193.6
[M+NH4]+ 343.18769 185.2
[M+K]+ 364.11703 186.8
[M-H]- 324.14659 183.1
[M+Na-2H]- 346.12854 185.7
[M]+ 325.15332 182.1
[M]- 325.15442 182.1
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

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