CID 490545

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

Structural Information

Molecular Formula
C18H15N5S
SMILES
C1=CC=C2C=C(C=CC2=C1)SCC3=CC4=C(N=C(N=C4N=C3)N)N
InChI
InChI=1S/C18H15N5S/c19-16-15-7-11(9-21-17(15)23-18(20)22-16)10-24-14-6-5-12-3-1-2-4-13(12)8-14/h1-9H,10H2,(H4,19,20,21,22,23)
InChIKey
JSFCRPZHSOENPR-UHFFFAOYSA-N
Compound name
6-(naphthalen-2-ylsulfanylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.10483 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.112106 174.0
[M+Na]+ 356.094048 185.3
[M-H]- 332.097554 178.2
[M+NH4]+ 351.138653 185.6
[M+K]+ 372.067988 176.4
[M+H-H2O]+ 316.102090 164.4
[M+HCOO]- 378.103031 189.8
[M+CH3COO]- 392.118681 184.2
[M+Na-2H]- 354.079496 181.8
[M]+ 333.10428142 175.6
[M]- 333.10537858 175.6
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.