CID 504419
Chembl134297
Structural Information
- Molecular Formula
- C29H29F2N5O7
- SMILES
- CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C5=C(C=C(C=C5)N6C[C@@H](OC6=O)CNC(=O)C)F)F)C(=O)O
- InChI
- InChI=1S/C29H29F2N5O7/c1-15-14-42-27-24-19(26(38)20(28(39)40)13-35(15)24)10-22(31)25(27)34-7-5-33(6-8-34)23-4-3-17(9-21(23)30)36-12-18(43-29(36)41)11-32-16(2)37/h3-4,9-10,13,15,18H,5-8,11-12,14H2,1-2H3,(H,32,37)(H,39,40)/t15?,18-/m0/s1
- InChIKey
- SKQNBBKLALGGCZ-PKHIMPSTSA-N
- Compound name
- 6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 598.21078 | 246.3 |
[M+Na]+ | 620.19272 | 251.1 |
[M-H]- | 596.19622 | 252.0 |
[M+NH4]+ | 615.23732 | 242.8 |
[M+K]+ | 636.16666 | 247.4 |
[M+H-H2O]+ | 580.20076 | 231.9 |
[M+HCOO]- | 642.20170 | 247.2 |
[M+CH3COO]- | 656.21735 | 248.8 |
[M+Na-2H]- | 618.17817 | 237.7 |
[M]+ | 597.20295 | 244.4 |
[M]- | 597.20405 | 244.4 |