CID 3033257

Usaf mk-79

Structural Information

Molecular Formula
C30H56N2O4S2
SMILES
CCCCCCCCCCCCOC(=O)CNC(=S)C(=S)NCC(=O)OCCCCCCCCCCCC
InChI
InChI=1S/C30H56N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-35-27(33)25-31-29(37)30(38)32-26-28(34)36-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,31,37)(H,32,38)
InChIKey
AYMSESRIOPBFMR-UHFFFAOYSA-N
Compound name
dodecyl 2-[[2-[(2-dodecoxy-2-oxoethyl)amino]-2-sulfanylideneethanethioyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.36816 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.37544 267.9
[M+Na]+ 595.35738 273.9
[M-H]- 571.36088 256.1
[M+NH4]+ 590.40198 269.4
[M+K]+ 611.33132 273.2
[M+H-H2O]+ 555.36542 266.9
[M+HCOO]- 617.36636 265.6
[M+CH3COO]- 631.38201 258.6
[M+Na-2H]- 593.34283 251.4
[M]+ 572.36761 265.5
[M]- 572.36871 265.5
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.