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]+ 309.19615 176.6
[M+Na]+ 331.17809 182.0
[M-H]- 307.18159 181.2
[M+NH4]+ 326.22269 190.8
[M+K]+ 347.15203 179.1
[M+H-H2O]+ 291.18613 167.2
[M+HCOO]- 353.18707 188.5
[M+CH3COO]- 367.20272 185.0
[M+Na-2H]- 329.16354 181.0
[M]+ 308.18832 168.7
[M]- 308.18942 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