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]+ 282.18526 166.2
[M+Na]+ 304.16720 171.8
[M-H]- 280.17070 172.4
[M+NH4]+ 299.21180 184.9
[M+K]+ 320.14114 171.3
[M+H-H2O]+ 264.17524 160.7
[M+HCOO]- 326.17618 185.3
[M+CH3COO]- 340.19183 177.1
[M+Na-2H]- 302.15265 172.6
[M]+ 281.17743 163.8
[M]- 281.17853 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.