CID 37162

Brn 2419820

Structural Information

Molecular Formula
C19H23NO
SMILES
CN(C)CCC1(C2=CC=CC=C2CCC3=CC=CC=C31)O
InChI
InChI=1S/C19H23NO/c1-20(2)14-13-19(21)17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10,21H,11-14H2,1-2H3
InChIKey
XQHOARLJVOWKPC-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 166.2
[M+Na]+ 304.167198 171.8
[M-H]- 280.170704 172.4
[M+NH4]+ 299.211803 184.9
[M+K]+ 320.141138 171.3
[M+H-H2O]+ 264.175240 160.7
[M+HCOO]- 326.176181 185.3
[M+CH3COO]- 340.191831 177.1
[M+Na-2H]- 302.152646 172.6
[M]+ 281.17743142 163.8
[M]- 281.17852858 163.8
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.