CID 353394

Nsc601374

Structural Information

Molecular Formula
C22H44N4O2
SMILES
CCCCCCCCCCCCC1C(=O)NCCNCCCNCCNC1=O
InChI
InChI=1S/C22H44N4O2/c1-2-3-4-5-6-7-8-9-10-11-13-20-21(27)25-18-16-23-14-12-15-24-17-19-26-22(20)28/h20,23-24H,2-19H2,1H3,(H,25,27)(H,26,28)
InChIKey
BJEHAOGAUBQMDZ-UHFFFAOYSA-N
Compound name
6-dodecyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.34644 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.35372 205.2
[M+Na]+ 419.33566 202.9
[M-H]- 395.33916 193.4
[M+NH4]+ 414.38026 204.9
[M+K]+ 435.30960 196.1
[M+H-H2O]+ 379.34370 197.9
[M+HCOO]- 441.34464 206.9
[M+CH3COO]- 455.36029 207.5
[M+Na-2H]- 417.32111 198.8
[M]+ 396.34589 191.6
[M]- 396.34699 191.6
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.