CID 15286666

O-methylandrocymbine

Structural Information

Molecular Formula
C22H27NO5
SMILES
CN1CC[C@@]23C=C(C(=O)C=C2[C@@H]1CCC4=CC(=C(C(=C34)OC)OC)OC)OC
InChI
InChI=1S/C22H27NO5/c1-23-9-8-22-12-18(26-3)16(24)11-14(22)15(23)7-6-13-10-17(25-2)20(27-4)21(28-5)19(13)22/h10-12,15H,6-9H2,1-5H3/t15-,22+/m0/s1
InChIKey
AYPIIWGCGUQVNZ-OYHNWAKOSA-N
Compound name
(1R,10S)-3,4,5,14-tetramethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

385.18893 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19621 188.6
[M+Na]+ 408.17815 199.9
[M+NH4]+ 403.22275 196.6
[M+K]+ 424.15209 192.7
[M-H]- 384.18165 190.8
[M+Na-2H]- 406.16360 192.1
[M]+ 385.18838 191.1
[M]- 385.18948 191.1
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

No patent data available for this compound.