CID 138523931
Nzz7uwe8jn
Structural Information
- Molecular Formula
- C22H25ClN2O5
- SMILES
- CC1(CC[C@H]2[C@@H]1N3C=C(C(=O)C=C3C4=NC(=C(C=C24)OCCCOC)Cl)C(=O)O)C
- InChI
- InChI=1S/C22H25ClN2O5/c1-22(2)6-5-12-13-9-17(30-8-4-7-29-3)20(23)24-18(13)15-10-16(26)14(21(27)28)11-25(15)19(12)22/h9-12,19H,4-8H2,1-3H3,(H,27,28)/t12-,19+/m1/s1
- InChIKey
- JFVCUINASNRMTO-BLVKFPJESA-N
- Compound name
- (2S,6R)-10-chloro-9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-1,11-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 433.15248 | 200.6 |
[M+Na]+ | 455.13442 | 210.9 |
[M-H]- | 431.13792 | 203.1 |
[M+NH4]+ | 450.17902 | 215.2 |
[M+K]+ | 471.10836 | 205.0 |
[M+H-H2O]+ | 415.14246 | 193.2 |
[M+HCOO]- | 477.14340 | 209.0 |
[M+CH3COO]- | 491.15905 | 228.1 |
[M+Na-2H]- | 453.11987 | 201.0 |
[M]+ | 432.14465 | 208.6 |
[M]- | 432.14575 | 208.6 |
Literature stripe
No literature data available for this compound.