CID 93272
2-((3-aziridin-1-ylpropionyl)methyl)-2-ethylpropane-1,3-diyl bis(aziridine-1-propionate)
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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 426.25988 | 224.6 |
[M+Na]+ | 448.24182 | 224.3 |
[M-H]- | 424.24532 | 227.1 |
[M+NH4]+ | 443.28642 | 217.0 |
[M+K]+ | 464.21576 | 221.0 |
[M+H-H2O]+ | 408.24986 | 218.0 |
[M+HCOO]- | 470.25080 | 232.5 |
[M+CH3COO]- | 484.26645 | 235.5 |
[M+Na-2H]- | 446.22727 | 217.6 |
[M]+ | 425.25205 | 232.9 |
[M]- | 425.25315 | 232.9 |
Literature stripe
No literature data available for this compound.