CID 9571072
Cefdaloxime
Structural Information
- Molecular Formula
- C14H15N5O6S2
- SMILES
- COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)O
- InChI
- InChI=1S/C14H15N5O6S2/c1-25-2-5-3-26-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-27-14(15)16-6/h4,8,12,24H,2-3H2,1H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1
- InChIKey
- HOGISBSFFHDTRM-GHXIOONMSA-N
- Compound name
- (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 414.05368 | 188.0 |
[M+Na]+ | 436.03562 | 187.7 |
[M-H]- | 412.03912 | 188.7 |
[M+NH4]+ | 431.08022 | 189.4 |
[M+K]+ | 452.00956 | 188.2 |
[M+H-H2O]+ | 396.04366 | 172.9 |
[M+HCOO]- | 458.04460 | 193.1 |
[M+CH3COO]- | 472.06025 | 227.9 |
[M+Na-2H]- | 434.02107 | 184.5 |
[M]+ | 413.04585 | 197.2 |
[M]- | 413.04695 | 197.2 |