CID 49409

Brn 1546803

Structural Information

Molecular Formula
C21H25NO
SMILES
CN1CCC(C1)CC2(C3=CC=CC=C3CCC4=CC=CC=C42)O
InChI
InChI=1S/C21H25NO/c1-22-13-12-16(15-22)14-21(23)19-8-4-2-6-17(19)10-11-18-7-3-5-9-20(18)21/h2-9,16,23H,10-15H2,1H3
InChIKey
POQRZDSBFZZLNC-UHFFFAOYSA-N
Compound name
2-[(1-methylpyrrolidin-3-yl)methyl]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

307.1936 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 174.3
[M+Na]+ 330.18282 185.7
[M+NH4]+ 325.22742 184.4
[M+K]+ 346.15676 178.3
[M-H]- 306.18632 178.7
[M+Na-2H]- 328.16827 181.1
[M]+ 307.19305 177.5
[M]- 307.19415 177.5
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.