CID 478118

284681-96-5

Structural Information

Molecular Formula
C18H19N3S2
SMILES
CCCCSC1=NC(=CC(=N1)SC2=CC3=CC=CC=C3C=C2)N
InChI
InChI=1S/C18H19N3S2/c1-2-3-10-22-18-20-16(19)12-17(21-18)23-15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12H,2-3,10H2,1H3,(H2,19,20,21)
InChIKey
WLGMHWLDPREYAR-UHFFFAOYSA-N
Compound name
2-butylsulfanyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.10205 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10933 173.1
[M+Na]+ 364.09127 182.1
[M-H]- 340.09477 176.8
[M+NH4]+ 359.13587 185.6
[M+K]+ 380.06521 173.3
[M+H-H2O]+ 324.09931 164.7
[M+HCOO]- 386.10025 183.4
[M+CH3COO]- 400.11590 182.7
[M+Na-2H]- 362.07672 175.8
[M]+ 341.10150 175.9
[M]- 341.10260 175.9
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.