CID 516693

5-(naphthalen-2-ylsulfanylmethyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C15H14N4S
SMILES
C1=CC=C2C=C(C=CC2=C1)SCC3=CN=C(N=C3N)N
InChI
InChI=1S/C15H14N4S/c16-14-12(8-18-15(17)19-14)9-20-13-6-5-10-3-1-2-4-11(10)7-13/h1-8H,9H2,(H4,16,17,18,19)
InChIKey
CWBULLIIEUGLCN-UHFFFAOYSA-N
Compound name
5-(naphthalen-2-ylsulfanylmethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.0939 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10118 161.0
[M+Na]+ 305.08312 170.5
[M-H]- 281.08662 165.4
[M+NH4]+ 300.12772 175.1
[M+K]+ 321.05706 163.2
[M+H-H2O]+ 265.09116 152.4
[M+HCOO]- 327.09210 178.1
[M+CH3COO]- 341.10775 172.0
[M+Na-2H]- 303.06857 166.5
[M]+ 282.09335 160.6
[M]- 282.09445 160.6
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.