CID 3033256

Usaf mk-76

Structural Information

Molecular Formula
C40H64N2S2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)CNC(=S)C(=S)NCC2=CC=C(C=C2)CCCCCCCCCCCC
InChI
InChI=1S/C40H64N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-29-37(30-26-35)33-41-39(43)40(44)42-34-38-31-27-36(28-32-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24,33-34H2,1-2H3,(H,41,43)(H,42,44)
InChIKey
QMZGALBWYQBALG-UHFFFAOYSA-N
Compound name
N,N'-bis[(4-dodecylphenyl)methyl]ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

636.4511 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.45838 259.4
[M+Na]+ 659.44032 254.8
[M-H]- 635.44382 260.0
[M+NH4]+ 654.48492 260.7
[M+K]+ 675.41426 242.4
[M+H-H2O]+ 619.44836 247.2
[M+HCOO]- 681.44930 264.5
[M+CH3COO]- 695.46495 274.3
[M+Na-2H]- 657.42577 249.5
[M]+ 636.45055 266.4
[M]- 636.45165 266.4
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.