CID 203671

Brn 0828070

Structural Information

Molecular Formula
C18H26N4S2
SMILES
CC1=CC(=NC(=N1)SCCCCCCSC2=NC(=CC(=N2)C)C)C
InChI
InChI=1S/C18H26N4S2/c1-13-11-14(2)20-17(19-13)23-9-7-5-6-8-10-24-18-21-15(3)12-16(4)22-18/h11-12H,5-10H2,1-4H3
InChIKey
HBHZJHWPZHVUAN-UHFFFAOYSA-N
Compound name
2-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexylsulfanyl]-4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.15988 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.16716 186.2
[M+Na]+ 385.14910 200.6
[M+NH4]+ 380.19370 193.3
[M+K]+ 401.12304 187.8
[M-H]- 361.15260 189.4
[M+Na-2H]- 383.13455 192.0
[M]+ 362.15933 190.2
[M]- 362.16043 190.2
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.