CID 476513
Pa-1282
Structural Information
- Molecular Formula
- C13H12ClN5O4
- SMILES
- C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])NC(=O)NC3=CC=C(C=C3)Cl
- InChI
- InChI=1S/C13H12ClN5O4/c14-8-1-3-9(4-2-8)15-12(20)16-10-5-18-6-11(19(21)22)17-13(18)23-7-10/h1-4,6,10H,5,7H2,(H2,15,16,20)/t10-/m0/s1
- InChIKey
- QVTKKKOHGKZJSZ-JTQLQIEISA-N
- Compound name
- 1-(4-chlorophenyl)-3-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 338.06505 | 171.2 |
[M+Na]+ | 360.04699 | 176.4 |
[M-H]- | 336.05049 | 176.5 |
[M+NH4]+ | 355.09159 | 182.2 |
[M+K]+ | 376.02093 | 169.3 |
[M+H-H2O]+ | 320.05503 | 167.1 |
[M+HCOO]- | 382.05597 | 187.8 |
[M+CH3COO]- | 396.07162 | 204.1 |
[M+Na-2H]- | 358.03244 | 178.5 |
[M]+ | 337.05722 | 170.0 |
[M]- | 337.05832 | 170.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.