CID 88435315

Dtxsid00889312

Structural Information

Molecular Formula
C30H58N4O2S2
SMILES
CCCCCCCC(=O)NCCCC(C)CNC(=S)C(=S)NCC(C)CCCNC(=O)CCCCCCC
InChI
InChI=1S/C30H58N4O2S2/c1-5-7-9-11-13-19-27(35)31-21-15-17-25(3)23-33-29(37)30(38)34-24-26(4)18-16-22-32-28(36)20-14-12-10-8-6-2/h25-26H,5-24H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKey
KYAPQNRLWBIIDB-UHFFFAOYSA-N
Compound name
N-[4-methyl-5-[[2-[[2-methyl-5-(octanoylamino)pentyl]amino]-2-sulfanylideneethanethioyl]amino]pentyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

570.40015 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.40743 274.1
[M+Na]+ 593.38937 290.8
[M+NH4]+ 588.43397 279.4
[M+K]+ 609.36331 280.9
[M-H]- 569.39287 273.4
[M+Na-2H]- 591.37482 277.9
[M]+ 570.39960 277.0
[M]- 570.40070 277.0
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

patents stripe