CID 466231

Chembl150247

Structural Information

Molecular Formula
C17H19N5O2S
SMILES
CC1=C2C(=NC(=NC2=NC=C1CSC3=C(C=CC(=C3)OC)OC)N)N
InChI
InChI=1S/C17H19N5O2S/c1-9-10(7-20-16-14(9)15(18)21-17(19)22-16)8-25-13-6-11(23-2)4-5-12(13)24-3/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22)
InChIKey
CHMGVFAMEMAJSZ-UHFFFAOYSA-N
Compound name
6-[(2,5-dimethoxyphenyl)sulfanylmethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

357.12595 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13323 184.3
[M+Na]+ 380.11517 194.7
[M-H]- 356.11867 187.9
[M+NH4]+ 375.15977 194.3
[M+K]+ 396.08911 188.0
[M+H-H2O]+ 340.12321 174.6
[M+HCOO]- 402.12415 199.4
[M+CH3COO]- 416.13980 193.9
[M+Na-2H]- 378.10062 186.6
[M]+ 357.12540 188.7
[M]- 357.12650 188.7
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.