CID 4072580

Isomahanimbine

Structural Information

Molecular Formula
C23H25NO
SMILES
CC1=CC2=C(C=C1)NC3=C2C=CC4=C3C=CC(O4)(C)CCC=C(C)C
InChI
InChI=1S/C23H25NO/c1-15(2)6-5-12-23(4)13-11-18-21(25-23)10-8-17-19-14-16(3)7-9-20(19)24-22(17)18/h6-11,13-14,24H,5,12H2,1-4H3
InChIKey
YZBKHDJPIAYXQH-UHFFFAOYSA-N
Compound name
3,8-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

331.1936 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20088 182.5
[M+Na]+ 354.18282 198.0
[M+NH4]+ 349.22742 193.3
[M+K]+ 370.15676 188.4
[M-H]- 330.18632 187.4
[M+Na-2H]- 352.16827 187.9
[M]+ 331.19305 186.6
[M]- 331.19415 186.6
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