CID 490548

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

Structural Information

Molecular Formula
C16H17N5O2S
SMILES
COC1=C(C=C(C=C1)SCC2=CC3=C(N=C(N=C3N=C2)N)N)OC
InChI
InChI=1S/C16H17N5O2S/c1-22-12-4-3-10(6-13(12)23-2)24-8-9-5-11-14(17)20-16(18)21-15(11)19-7-9/h3-7H,8H2,1-2H3,(H4,17,18,19,20,21)
InChIKey
BSZYUILZIYQKNQ-UHFFFAOYSA-N
Compound name
6-[(3,4-dimethoxyphenyl)sulfanylmethyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.1103 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11758 178.6
[M+Na]+ 366.09952 188.6
[M-H]- 342.10302 182.1
[M+NH4]+ 361.14412 189.0
[M+K]+ 382.07346 182.1
[M+H-H2O]+ 326.10756 169.0
[M+HCOO]- 388.10850 194.2
[M+CH3COO]- 402.12415 188.4
[M+Na-2H]- 364.08497 182.3
[M]+ 343.10975 182.3
[M]- 343.11085 182.3
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.