CID 3058535

75370-55-7

Structural Information

Molecular Formula
C23H27NO3
SMILES
CC(=CCN1CC2=CC(=O)C(=CC23CC1CC4=C3C=CC(=C4)OC)OC)C
InChI
InChI=1S/C23H27NO3/c1-15(2)7-8-24-14-17-11-21(25)22(27-4)13-23(17)12-18(24)9-16-10-19(26-3)5-6-20(16)23/h5-7,10-11,13,18H,8-9,12,14H2,1-4H3
InChIKey
SNONAJZAPFWLBZ-UHFFFAOYSA-N
Compound name
5,15-dimethoxy-10-(3-methylbut-2-enyl)-10-azatetracyclo[7.7.1.01,12.02,7]heptadeca-2(7),3,5,12,15-pentaen-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 190.1
[M+Na]+ 388.18832 203.4
[M+NH4]+ 383.23292 199.9
[M+K]+ 404.16226 192.8
[M-H]- 364.19182 192.6
[M+Na-2H]- 386.17377 193.4
[M]+ 365.19855 192.9
[M]- 365.19965 192.9
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.