CID 28549

N,n'-octamethylenebis(1-aziridinepropionamide) dihydrochloride

Structural Information

Molecular Formula
C18H34N4O2
SMILES
C1CN1CCC(=O)NCCCCCCCCNC(=O)CCN2CC2
InChI
InChI=1S/C18H34N4O2/c23-17(7-11-21-13-14-21)19-9-5-3-1-2-4-6-10-20-18(24)8-12-22-15-16-22/h1-16H2,(H,19,23)(H,20,24)
InChIKey
QWYPVKTWQWPOPK-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-N-[8-[3-(aziridin-1-yl)propanoylamino]octyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2682 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.27548 193.7
[M+Na]+ 361.25742 196.1
[M-H]- 337.26092 196.5
[M+NH4]+ 356.30202 194.1
[M+K]+ 377.23136 190.9
[M+H-H2O]+ 321.26546 185.1
[M+HCOO]- 383.26640 210.6
[M+CH3COO]- 397.28205 224.0
[M+Na-2H]- 359.24287 192.1
[M]+ 338.26765 199.5
[M]- 338.26875 199.5
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.