CID 131750980

30048-24-9

Structural Information

Molecular Formula
C23H27NO2
SMILES
CC1=CC2=C(C3=C1OC(C=C3)(C)CCCC(C)(C)O)NC4=CC=CC=C42
InChI
InChI=1S/C23H27NO2/c1-15-14-18-16-8-5-6-9-19(16)24-20(18)17-10-13-23(4,26-21(15)17)12-7-11-22(2,3)25/h5-6,8-10,13-14,24-25H,7,11-12H2,1-4H3
InChIKey
ZMSFODUWJLWJOE-UHFFFAOYSA-N
Compound name
5-(3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 188.9
[M+Na]+ 372.19342 198.4
[M-H]- 348.19692 192.3
[M+NH4]+ 367.23802 205.6
[M+K]+ 388.16736 192.3
[M+H-H2O]+ 332.20146 181.8
[M+HCOO]- 394.20240 202.1
[M+CH3COO]- 408.21805 198.8
[M+Na-2H]- 370.17887 194.5
[M]+ 349.20365 192.3
[M]- 349.20475 192.3
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.