CID 437129

Pseudourea, 2,2'-hexamethylenebis[1,3-diisopropyl-2-thio-

Structural Information

Molecular Formula
C20H42N4S2
SMILES
CC(C)NC(=NC(C)C)SCCCCCCSC(=NC(C)C)NC(C)C
InChI
InChI=1S/C20H42N4S2/c1-15(2)21-19(22-16(3)4)25-13-11-9-10-12-14-26-20(23-17(5)6)24-18(7)8/h15-18H,9-14H2,1-8H3,(H,21,22)(H,23,24)
InChIKey
TUBHKVHYNYSUDN-UHFFFAOYSA-N
Compound name
6-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylhexyl N,N'-di(propan-2-yl)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.2851 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.29238 204.7
[M+Na]+ 425.27432 202.2
[M-H]- 401.27782 204.4
[M+NH4]+ 420.31892 216.0
[M+K]+ 441.24826 198.9
[M+H-H2O]+ 385.28236 194.9
[M+HCOO]- 447.28330 212.7
[M+CH3COO]- 461.29895 240.3
[M+Na-2H]- 423.25977 196.4
[M]+ 402.28455 208.3
[M]- 402.28565 208.3
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.