CID 93272

52234-82-9

Structural Information

Molecular Formula
C21H35N3O6
SMILES
CCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3
InChI
InChI=1S/C21H35N3O6/c1-2-21(15-28-18(25)3-6-22-9-10-22,16-29-19(26)4-7-23-11-12-23)17-30-20(27)5-8-24-13-14-24/h2-17H2,1H3
InChIKey
KDRBAEZRIDZKRP-UHFFFAOYSA-N
Compound name
2,2-bis[3-(aziridin-1-yl)propanoyloxymethyl]butyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1578
Patents

425.2526 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.25988 137.4
[M+Na]+ 448.24182 144.7
[M+NH4]+ 443.28642 141.0
[M+K]+ 464.21576 148.3
[M-H]- 424.24532 149.9
[M+Na-2H]- 446.22727 146.8
[M]+ 425.25205 143.8
[M]- 425.25315 143.8
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

patents stripe