CID 180314

Murrayazolinol

Structural Information

Molecular Formula
C23H25NO2
SMILES
CC1=CC2=C3C4=C1OC5(CC4C(CC5O)C(N3C6=CC=CC=C62)(C)C)C
InChI
InChI=1S/C23H25NO2/c1-12-9-14-13-7-5-6-8-17(13)24-20(14)19-15-11-23(4,26-21(12)19)18(25)10-16(15)22(24,2)3/h5-9,15-16,18,25H,10-11H2,1-4H3
InChIKey
SIYXICWJEWHFMI-UHFFFAOYSA-N
Compound name
3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6,8,10-hexaen-16-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

347.18854 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 185.5
[M+Na]+ 370.17776 200.8
[M+NH4]+ 365.22236 199.5
[M+K]+ 386.15170 189.5
[M-H]- 346.18126 189.5
[M+Na-2H]- 368.16321 186.8
[M]+ 347.18799 189.6
[M]- 347.18909 189.6
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