CID 9876235

Azd 7009

Structural Information

Molecular Formula
C23H34N4O5
SMILES
CC(C)(C)OC(=O)NCCN1CC2CN(CC(C1)O2)C[C@@H](COC3=CC=C(C=C3)C#N)O
InChI
InChI=1S/C23H34N4O5/c1-23(2,3)32-22(29)25-8-9-26-12-20-14-27(15-21(13-26)31-20)11-18(28)16-30-19-6-4-17(10-24)5-7-19/h4-7,18,20-21,28H,8-9,11-16H2,1-3H3,(H,25,29)/t18-,20?,21?/m0/s1
InChIKey
JRHUUZPSMQIWBQ-PELRDEGISA-N
Compound name
tert-butyl N-[2-[7-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

117
Patents

446.25293 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.26021 210.9
[M+Na]+ 469.24215 217.4
[M+NH4]+ 464.28675 211.2
[M+K]+ 485.21609 210.3
[M-H]- 445.24565 204.1
[M+Na-2H]- 467.22760 207.5
[M]+ 446.25238 208.7
[M]- 446.25348 208.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe