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 181.4
[M+Na]+ 385.14910 190.8
[M-H]- 361.15260 182.5
[M+NH4]+ 380.19370 190.6
[M+K]+ 401.12304 182.3
[M+H-H2O]+ 345.15714 172.0
[M+HCOO]- 407.15808 188.8
[M+CH3COO]- 421.17373 216.9
[M+Na-2H]- 383.13455 179.5
[M]+ 362.15933 187.9
[M]- 362.16043 187.9
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.