CID 6918208
A-70826
Structural Information
- Molecular Formula
- C29H33F3N6O5
- SMILES
- CCC[C@@H](C(=O)N[C@@H](CCC)C(=O)NC1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F)N
- InChI
- InChI=1S/C29H33F3N6O5/c1-3-5-21(33)27(40)35-22(6-4-2)28(41)34-16-9-10-37(13-16)26-20(32)12-17-24(39)18(29(42)43)14-38(25(17)36-26)23-8-7-15(30)11-19(23)31/h7-8,11-12,14,16,21-22H,3-6,9-10,13,33H2,1-2H3,(H,34,41)(H,35,40)(H,42,43)/t16?,21-,22-/m0/s1
- InChIKey
- QFQGBFRGILVSNY-LALCZMHNSA-N
- Compound name
- 7-[3-[[(2S)-2-[[(2S)-2-aminopentanoyl]amino]pentanoyl]amino]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 603.25374 | 241.0 |
[M+Na]+ | 625.23568 | 243.6 |
[M-H]- | 601.23918 | 242.4 |
[M+NH4]+ | 620.28028 | 240.0 |
[M+K]+ | 641.20962 | 238.7 |
[M+H-H2O]+ | 585.24372 | 227.8 |
[M+HCOO]- | 647.24466 | 249.4 |
[M+CH3COO]- | 661.26031 | 270.7 |
[M+Na-2H]- | 623.22113 | 231.8 |
[M]+ | 602.24591 | 237.7 |
[M]- | 602.24701 | 237.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.