CID 24834280
97139-46-3
Structural Information
- Molecular Formula
- C15H21Cl2N4O5P
- SMILES
- C1COP(NC1N(C(=O)NC(=O)C2=CCC(=O)C=C2)O)N(CCCl)CCCl
- InChI
- InChI=1S/C15H21Cl2N4O5P/c16-6-8-20(9-7-17)27-19-13(5-10-26-27)21(25)15(24)18-14(23)11-1-3-12(22)4-2-11/h1-3,13,19,25H,4-10H2,(H,18,23,24)
- InChIKey
- GYUFDXNQYRDPGT-UHFFFAOYSA-N
- Compound name
- N-[[2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl]-hydroxycarbamoyl]-4-oxocyclohexa-1,5-diene-1-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 439.06993 | 194.3 |
[M+Na]+ | 461.05187 | 195.7 |
[M-H]- | 437.05537 | 197.5 |
[M+NH4]+ | 456.09647 | 201.5 |
[M+K]+ | 477.02581 | 194.1 |
[M+H-H2O]+ | 421.05991 | 184.7 |
[M+HCOO]- | 483.06085 | 207.0 |
[M+CH3COO]- | 497.07650 | 231.4 |
[M+Na-2H]- | 459.03732 | 190.3 |
[M]+ | 438.06210 | 195.2 |
[M]- | 438.06320 | 195.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.