CID 87418

18029-54-4

Structural Information

Molecular Formula
C20H23NO
SMILES
CN(C)CCCC1(C2=CC=CC=C2C=CC3=CC=CC=C31)O
InChI
InChI=1S/C20H23NO/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/h3-6,8-13,22H,7,14-15H2,1-2H3
InChIKey
VMLRQKQUOMJJAN-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9
Patents

293.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 170.1
[M+Na]+ 316.167198 176.2
[M-H]- 292.170704 176.5
[M+NH4]+ 311.211803 188.4
[M+K]+ 332.141138 175.5
[M+H-H2O]+ 276.175240 164.5
[M+HCOO]- 338.176181 190.3
[M+CH3COO]- 352.191831 181.1
[M+Na-2H]- 314.152646 176.8
[M]+ 293.17743142 169.4
[M]- 293.17852858 169.4
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