CID 14390

1159-03-1

Structural Information

Molecular Formula
C20H25NO
SMILES
CN(C)CCCC1(C2=CC=CC=C2CCC3=CC=CC=C31)O
InChI
InChI=1S/C20H25NO/c1-21(2)15-7-14-20(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11,22H,7,12-15H2,1-2H3
InChIKey
ONSQUXZPOPTSQF-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

5
Patents

295.1936 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 170.7
[M+Na]+ 318.182818 175.8
[M-H]- 294.186324 176.7
[M+NH4]+ 313.227423 188.8
[M+K]+ 334.156758 175.1
[M+H-H2O]+ 278.190860 165.0
[M+HCOO]- 340.191801 189.5
[M+CH3COO]- 354.207451 181.1
[M+Na-2H]- 316.168266 176.5
[M]+ 295.19305142 168.5
[M]- 295.19414858 168.5
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