CID 13285545

2,2'-(1,8-octanediylbis(thio))bis(4,6-dimethylpyrimidine)

Structural Information

Molecular Formula
C20H30N4S2
SMILES
CC1=CC(=NC(=N1)SCCCCCCCCSC2=NC(=CC(=N2)C)C)C
InChI
InChI=1S/C20H30N4S2/c1-15-13-16(2)22-19(21-15)25-11-9-7-5-6-8-10-12-26-20-23-17(3)14-18(4)24-20/h13-14H,5-12H2,1-4H3
InChIKey
SPYIXAAJAOLTGQ-UHFFFAOYSA-N
Compound name
2-[8-(4,6-dimethylpyrimidin-2-yl)sulfanyloctylsulfanyl]-4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1912 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19848 189.2
[M+Na]+ 413.18042 197.7
[M-H]- 389.18392 189.9
[M+NH4]+ 408.22502 197.2
[M+K]+ 429.15436 188.7
[M+H-H2O]+ 373.18846 179.4
[M+HCOO]- 435.18940 196.0
[M+CH3COO]- 449.20505 222.6
[M+Na-2H]- 411.16587 186.5
[M]+ 390.19065 196.4
[M]- 390.19175 196.4
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.