CID 41945
Spiromustine
Structural Information
- Molecular Formula
- C14H23Cl2N3O2
- SMILES
- C1CCC2(CC1)C(=O)N(C(=O)N2)CCN(CCCl)CCCl
- InChI
- InChI=1S/C14H23Cl2N3O2/c15-6-8-18(9-7-16)10-11-19-12(20)14(17-13(19)21)4-2-1-3-5-14/h1-11H2,(H,17,21)
- InChIKey
- QNKJFXARIMSDBR-UHFFFAOYSA-N
- Compound name
- 3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 336.12401 | 177.0 |
[M+Na]+ | 358.10595 | 182.0 |
[M-H]- | 334.10945 | 177.7 |
[M+NH4]+ | 353.15055 | 192.7 |
[M+K]+ | 374.07989 | 176.4 |
[M+H-H2O]+ | 318.11399 | 169.9 |
[M+HCOO]- | 380.11493 | 183.3 |
[M+CH3COO]- | 394.13058 | 207.4 |
[M+Na-2H]- | 356.09140 | 175.9 |
[M]+ | 335.11618 | 175.3 |
[M]- | 335.11728 | 175.3 |