CID 3032621

Usaf mk-67

Structural Information

Molecular Formula
C22H34N4S2
SMILES
CCN(CCNC(=S)C(=S)NCCN(CC)C1=CCC=CC1)C2=CCC=CC2
InChI
InChI=1S/C22H34N4S2/c1-3-25(19-11-7-5-8-12-19)17-15-23-21(27)22(28)24-16-18-26(4-2)20-13-9-6-10-14-20/h5-7,9,12,14H,3-4,8,10-11,13,15-18H2,1-2H3,(H,23,27)(H,24,28)
InChIKey
QLHIIBDEEMJKLA-UHFFFAOYSA-N
Compound name
N,N'-bis[2-[cyclohexa-1,4-dien-1-yl(ethyl)amino]ethyl]ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2225 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.22978 199.1
[M+Na]+ 441.21172 197.2
[M-H]- 417.21522 204.5
[M+NH4]+ 436.25632 209.0
[M+K]+ 457.18566 191.8
[M+H-H2O]+ 401.21976 188.7
[M+HCOO]- 463.22070 209.7
[M+CH3COO]- 477.23635 238.3
[M+Na-2H]- 439.19717 196.7
[M]+ 418.22195 197.8
[M]- 418.22305 197.8
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.