CID 6912202

16-epivobasine

Structural Information

Molecular Formula
C22H26N2O3
SMILES
C/C=C\1/CN(C2CC3=C(C(=O)CC1C2C(=O)OC)N(C4=CC=CC=C34)C)C
InChI
InChI=1S/C22H26N2O3/c1-5-13-12-23(2)18-10-16-14-8-6-7-9-17(14)24(3)21(16)19(25)11-15(13)20(18)22(26)27-4/h5-9,15,18,20H,10-12H2,1-4H3/b13-5-
InChIKey
MGXLBYVOYDYHHV-ACAGNQJTSA-N
Compound name
methyl (15E)-15-ethylidene-10,17-dimethyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 186.6
[M+Na]+ 389.18356 190.3
[M+NH4]+ 384.22816 188.7
[M+K]+ 405.15750 188.1
[M-H]- 365.18706 186.7
[M+Na-2H]- 387.16901 185.8
[M]+ 366.19379 187.1
[M]- 366.19489 187.1
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.