CID 204135

3-((10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)-1-methylpiperidine maleate

Structural Information

Molecular Formula
C21H25NO
SMILES
CN1CCCC(C1)OC2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C21H25NO/c1-22-14-6-9-18(15-22)23-21-19-10-4-2-7-16(19)12-13-17-8-3-5-11-20(17)21/h2-5,7-8,10-11,18,21H,6,9,12-15H2,1H3
InChIKey
GUMSXYJVXQKIAB-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 174.0
[M+Na]+ 330.18282 178.2
[M-H]- 306.18632 180.7
[M+NH4]+ 325.22742 188.3
[M+K]+ 346.15676 176.2
[M+H-H2O]+ 290.19086 166.2
[M+HCOO]- 352.19180 188.4
[M+CH3COO]- 366.20745 183.1
[M+Na-2H]- 328.16827 177.6
[M]+ 307.19305 167.3
[M]- 307.19415 167.3
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.