CID 11775573

324763-46-4

Structural Information

Molecular Formula
C25H39N3O5
SMILES
CC(C)[C@@H]1C[C@H](OC1=O)[C@H](C[C@H](CC2=CC(=C(C=C2)OC)OCCCOC)C(C)C)N=[N+]=[N-]
InChI
InChI=1S/C25H39N3O5/c1-16(2)19(14-21(27-28-26)23-15-20(17(3)4)25(29)33-23)12-18-8-9-22(31-6)24(13-18)32-11-7-10-30-5/h8-9,13,16-17,19-21,23H,7,10-12,14-15H2,1-6H3/t19-,20-,21-,23-/m0/s1
InChIKey
YTRPFWMXDNQTCX-FKEBYFGASA-N
Compound name
(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

461.28897 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.29625 216.6
[M+Na]+ 484.27819 223.6
[M+NH4]+ 479.32279 220.4
[M+K]+ 500.25213 222.6
[M-H]- 460.28169 221.5
[M+Na-2H]- 482.26364 217.2
[M]+ 461.28842 218.4
[M]- 461.28952 218.4
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

patents stripe