CID 6435018

67226-82-8

Structural Information

Molecular Formula
C21H27NO
SMILES
CN(C)CCCC1(/C=C\C2=C(CCC=C2)CC3=CC=CC=C31)O
InChI
InChI=1S/C21H27NO/c1-22(2)15-7-13-21(23)14-12-17-8-3-4-9-18(17)16-19-10-5-6-11-20(19)21/h3,5-6,8,10-12,14,23H,4,7,9,13,15-16H2,1-2H3/b14-12-
InChIKey
UGCNUYSIBDTHJX-OWBHPGMISA-N
Compound name
(10Z)-9-[3-(dimethylamino)propyl]tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 176.1
[M+Na]+ 332.19848 180.2
[M-H]- 308.20198 178.2
[M+NH4]+ 327.24308 184.3
[M+K]+ 348.17242 178.9
[M+H-H2O]+ 292.20652 171.3
[M+HCOO]- 354.20746 183.9
[M+CH3COO]- 368.22311 179.5
[M+Na-2H]- 330.18393 175.4
[M]+ 309.20871 175.6
[M]- 309.20981 175.6
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.