CID 11700576
1-cyclopropyl-7-[4-[[(3z)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]imino-5-fluoro-2-oxo-indolin-1-yl]methyl]piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid
Structural Information
- Molecular Formula
- C38H34F2N8O6S
- SMILES
- CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)F)N(C3=O)CN5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)C8CC8)F)C
- InChI
- InChI=1S/C38H34F2N8O6S/c1-21-15-22(2)42-38(41-21)44-55(53,54)26-8-4-24(5-9-26)43-34-27-16-23(39)3-10-31(27)48(36(34)50)20-45-11-13-46(14-12-45)33-18-32-28(17-30(33)40)35(49)29(37(51)52)19-47(32)25-6-7-25/h3-5,8-10,15-19,25H,6-7,11-14,20H2,1-2H3,(H,51,52)(H,41,42,44)
- InChIKey
- CXKSQWYMPISSJP-UHFFFAOYSA-N
- Compound name
- 1-cyclopropyl-7-[4-[[3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]imino-5-fluoro-2-oxoindol-1-yl]methyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 769.23628 | 279.0 |
[M+Na]+ | 791.21822 | 285.4 |
[M-H]- | 767.22172 | 287.6 |
[M+NH4]+ | 786.26282 | 265.5 |
[M+K]+ | 807.19216 | 274.8 |
[M+H-H2O]+ | 751.22626 | 266.4 |
[M+HCOO]- | 813.22720 | 279.9 |
[M+CH3COO]- | 827.24285 | 278.3 |
[M+Na-2H]- | 789.20367 | 273.9 |
[M]+ | 768.22845 | 281.2 |
[M]- | 768.22955 | 281.2 |
Literature stripe
Patent stripe
No patent data available for this compound.