CID 467077

(2s)-n-(tert-butyl)-1-{(2r)-2-hydroxy-2-[(8s,11s)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}piperidine-2-carboxamide

Structural Information

Molecular Formula
C29H46N4O5
SMILES
CC(C)[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)OCCCC(=O)N1)[C@@H](CN3CCCC[C@H]3C(=O)NC(C)(C)C)O
InChI
InChI=1S/C29H46N4O5/c1-19(2)26-28(37)30-22(17-20-11-13-21(14-12-20)38-16-8-10-25(35)31-26)24(34)18-33-15-7-6-9-23(33)27(36)32-29(3,4)5/h11-14,19,22-24,26,34H,6-10,15-18H2,1-5H3,(H,30,37)(H,31,35)(H,32,36)/t22-,23-,24+,26-/m0/s1
InChIKey
QLMPTTVJAFLWDI-SRNFOCHHSA-N
Compound name
(2S)-N-tert-butyl-1-[(2R)-2-[(8S,11S)-6,9-dioxo-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxyethyl]piperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.3468 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.35408 242.2
[M+Na]+ 553.33602 234.1
[M-H]- 529.33952 219.4
[M+NH4]+ 548.38062 241.8
[M+K]+ 569.30996 235.2
[M+H-H2O]+ 513.34406 241.8
[M+HCOO]- 575.34500 225.6
[M+CH3COO]- 589.36065 235.9
[M+Na-2H]- 551.32147 242.6
[M]+ 530.34625 236.1
[M]- 530.34735 236.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.