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]+ 310.216536 176.1
[M+Na]+ 332.198478 180.2
[M-H]- 308.201984 178.2
[M+NH4]+ 327.243083 184.3
[M+K]+ 348.172418 178.9
[M+H-H2O]+ 292.206520 171.3
[M+HCOO]- 354.207461 183.9
[M+CH3COO]- 368.223111 179.5
[M+Na-2H]- 330.183926 175.4
[M]+ 309.20871142 175.6
[M]- 309.20980858 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.