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 190.8
[M+Na]+ 408.17815 198.2
[M-H]- 384.18165 197.1
[M+NH4]+ 403.22275 205.6
[M+K]+ 424.15209 199.1
[M+H-H2O]+ 368.18619 183.0
[M+HCOO]- 430.18713 204.4
[M+CH3COO]- 444.20278 225.1
[M+Na-2H]- 406.16360 193.2
[M]+ 385.18838 193.4
[M]- 385.18948 193.4
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.