CID 107201

Einecs 223-576-7

Structural Information

Molecular Formula
C20H24N2O
SMILES
CN1CCC(CC1)C2(C3=CC=CC=C3CCC4=C2N=CC=C4)O
InChI
InChI=1S/C20H24N2O/c1-22-13-10-17(11-14-22)20(23)18-7-3-2-5-15(18)8-9-16-6-4-12-21-19(16)20/h2-7,12,17,23H,8-11,13-14H2,1H3
InChIKey
SREPUDDANOISMH-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.18887 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 176.6
[M+Na]+ 331.178088 182.0
[M-H]- 307.181594 181.2
[M+NH4]+ 326.222693 190.8
[M+K]+ 347.152028 179.1
[M+H-H2O]+ 291.186130 167.2
[M+HCOO]- 353.187071 188.5
[M+CH3COO]- 367.202721 185.0
[M+Na-2H]- 329.163536 181.0
[M]+ 308.18832142 168.7
[M]- 308.18941858 168.7
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

patents stripe