CID 464023

Sri 8451

Structural Information

Molecular Formula
C16H17N5OS
SMILES
CC1=C2C(=NC(=NC2=NC=C1CSC3=CC=CC(=C3)OC)N)N
InChI
InChI=1S/C16H17N5OS/c1-9-10(8-23-12-5-3-4-11(6-12)22-2)7-19-15-13(9)14(17)20-16(18)21-15/h3-7H,8H2,1-2H3,(H4,17,18,19,20,21)
InChIKey
XEXFECRCBWCTCV-UHFFFAOYSA-N
Compound name
6-[(3-methoxyphenyl)sulfanylmethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

327.1154 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12268 175.8
[M+Na]+ 350.10462 186.1
[M-H]- 326.10812 179.3
[M+NH4]+ 345.14922 187.0
[M+K]+ 366.07856 179.0
[M+H-H2O]+ 310.11266 166.4
[M+HCOO]- 372.11360 191.2
[M+CH3COO]- 386.12925 185.8
[M+Na-2H]- 348.09007 179.3
[M]+ 327.11485 178.2
[M]- 327.11595 178.2
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

No patent data available for this compound.