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]+ 296.20088 168.0
[M+Na]+ 318.18282 179.3
[M+NH4]+ 313.22742 178.1
[M+K]+ 334.15676 170.5
[M-H]- 294.18632 172.2
[M+Na-2H]- 316.16827 175.5
[M]+ 295.19305 171.1
[M]- 295.19415 171.1
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