CID 490544

6-(phenylsulfanylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C14H13N5S
SMILES
C1=CC=C(C=C1)SCC2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C14H13N5S/c15-12-11-6-9(7-17-13(11)19-14(16)18-12)8-20-10-4-2-1-3-5-10/h1-7H,8H2,(H4,15,16,17,18,19)
InChIKey
MXKSZLPTUQCOBQ-UHFFFAOYSA-N
Compound name
6-(phenylsulfanylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.08917 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09645 161.2
[M+Na]+ 306.07839 171.2
[M-H]- 282.08189 164.4
[M+NH4]+ 301.12299 173.9
[M+K]+ 322.05233 163.7
[M+H-H2O]+ 266.08643 152.2
[M+HCOO]- 328.08737 177.3
[M+CH3COO]- 342.10302 171.9
[M+Na-2H]- 304.06384 167.3
[M]+ 283.08862 160.9
[M]- 283.08972 160.9
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.