CID 375148

Isomahanine

Structural Information

Molecular Formula
C23H25NO2
SMILES
CC1=CC2=C(C=C1O)NC3=C2C=CC4=C3C=CC(O4)(C)CCC=C(C)C
InChI
InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-17-21(26-23)8-7-16-18-12-15(3)20(25)13-19(18)24-22(16)17/h6-9,11-13,24-25H,5,10H2,1-4H3
InChIKey
WWXYBSVWYPHUPZ-UHFFFAOYSA-N
Compound name
3,8-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

9
Patents

347.18854 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 186.1
[M+Na]+ 370.17776 200.9
[M+NH4]+ 365.22236 195.9
[M+K]+ 386.15170 192.3
[M-H]- 346.18126 190.0
[M+Na-2H]- 368.16321 190.2
[M]+ 347.18799 189.7
[M]- 347.18909 189.7
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