CID 467078

(2s)-n-(tert-butyl)-1-{(2r)-2-hydroxy-2-[(9s,12s)-9-isopropyl-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]ethyl}piperidine-2-carboxamide

Structural Information

Molecular Formula
C30H48N4O5
SMILES
CC(C)[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)OCCCCC(=O)N1)[C@@H](CN3CCCC[C@H]3C(=O)NC(C)(C)C)O
InChI
InChI=1S/C30H48N4O5/c1-20(2)27-29(38)31-23(18-21-12-14-22(15-13-21)39-17-9-7-11-26(36)32-27)25(35)19-34-16-8-6-10-24(34)28(37)33-30(3,4)5/h12-15,20,23-25,27,35H,6-11,16-19H2,1-5H3,(H,31,38)(H,32,36)(H,33,37)/t23-,24-,25+,27-/m0/s1
InChIKey
UKHWRIRAODZHTP-CLPFNFTISA-N
Compound name
(2S)-N-tert-butyl-1-[(2R)-2-[(9S,12S)-7,10-dioxo-9-propan-2-yl-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]-2-hydroxyethyl]piperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.3625 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.36978 245.0
[M+Na]+ 567.35172 235.7
[M-H]- 543.35522 221.4
[M+NH4]+ 562.39632 244.2
[M+K]+ 583.32566 237.0
[M+H-H2O]+ 527.35976 244.5
[M+HCOO]- 589.36070 227.0
[M+CH3COO]- 603.37635 237.9
[M+Na-2H]- 565.33717 245.1
[M]+ 544.36195 238.3
[M]- 544.36305 238.3
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.