CID 204135

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

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]+ 308.200876 174.0
[M+Na]+ 330.182818 178.2
[M-H]- 306.186324 180.7
[M+NH4]+ 325.227423 188.3
[M+K]+ 346.156758 176.2
[M+H-H2O]+ 290.190860 166.2
[M+HCOO]- 352.191801 188.4
[M+CH3COO]- 366.207451 183.1
[M+Na-2H]- 328.168266 177.6
[M]+ 307.19305142 167.3
[M]- 307.19414858 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.