CID 456272

Chembl23584

Structural Information

Molecular Formula
C19H17N5S
SMILES
CC1=C2C(=NC(=NC2=NC=C1CSC3=CC=CC4=CC=CC=C43)N)N
InChI
InChI=1S/C19H17N5S/c1-11-13(9-22-18-16(11)17(20)23-19(21)24-18)10-25-15-8-4-6-12-5-2-3-7-14(12)15/h2-9H,10H2,1H3,(H4,20,21,22,23,24)
InChIKey
ZHWDUKIUIZWUMD-UHFFFAOYSA-N
Compound name
5-methyl-6-(naphthalen-1-ylsulfanylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

347.12045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12773 180.1
[M+Na]+ 370.10967 191.8
[M-H]- 346.11317 184.5
[M+NH4]+ 365.15427 191.4
[M+K]+ 386.08361 182.7
[M+H-H2O]+ 330.11771 170.4
[M+HCOO]- 392.11865 195.5
[M+CH3COO]- 406.13430 190.1
[M+Na-2H]- 368.09512 186.5
[M]+ 347.11990 182.4
[M]- 347.12100 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.