CID 27646
16032-73-8
Structural Information
- Molecular Formula
- C19H26N4O5
- SMILES
- CCCCN1C2C1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
- InChI
- InChI=1S/C19H26N4O5/c1-4-5-6-22-11-7-23-14-12(16(25)13(20)9(2)15(14)24)10(8-28-18(21)26)19(23,27-3)17(11)22/h10-11,17H,4-8,20H2,1-3H3,(H2,21,26)/t10-,11?,17?,19-,22?/m1/s1
- InChIKey
- NYDNHNDLODNBRO-WZZNODGGSA-N
- Compound name
- [(7R,8S)-11-amino-5-butyl-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 391.19758 | 194.8 |
[M+Na]+ | 413.17952 | 205.6 |
[M-H]- | 389.18302 | 198.4 |
[M+NH4]+ | 408.22412 | 207.2 |
[M+K]+ | 429.15346 | 198.9 |
[M+H-H2O]+ | 373.18756 | 191.0 |
[M+HCOO]- | 435.18850 | 209.4 |
[M+CH3COO]- | 449.20415 | 231.4 |
[M+Na-2H]- | 411.16497 | 192.3 |
[M]+ | 390.18975 | 202.4 |
[M]- | 390.19085 | 202.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.