CID 57355117

Bis(11-azidoundecyl) disulfide

Structural Information

Molecular Formula
C22H44N6S2
SMILES
C(CCCCCN=[N+]=[N-])CCCCCSSCCCCCCCCCCCN=[N+]=[N-]
InChI
InChI=1S/C22H44N6S2/c23-27-25-19-15-11-7-3-1-5-9-13-17-21-29-30-22-18-14-10-6-2-4-8-12-16-20-26-28-24/h1-22H2
InChIKey
GIGNSCLNVXDBBG-UHFFFAOYSA-N
Compound name
1-azido-11-(11-azidoundecyldisulfanyl)undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

456.3069 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.31418 302.7
[M+Na]+ 479.29612 311.4
[M-H]- 455.29962 292.0
[M+NH4]+ 474.34072 300.9
[M+K]+ 495.27006 308.0
[M+H-H2O]+ 439.30416 283.8
[M+HCOO]- 501.30510 315.2
[M+CH3COO]- 515.32075 243.7
[M+Na-2H]- 477.28157 285.0
[M]+ 456.30635 292.5
[M]- 456.30745 292.5
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

patents stripe