CID 6435297

Dibenzo(a,d)(1,4)cyclooctadiene, 5-(1-methyl-3-pyrrolidinylmethylene)-, hydrochloride

Structural Information

Molecular Formula
C22H25N
SMILES
CN1CCC(C1)/C=C\2/CCC3=CC=CC=C3CC4=CC=CC=C24
InChI
InChI=1S/C22H25N/c1-23-13-12-17(16-23)14-21-11-10-18-6-2-3-7-19(18)15-20-8-4-5-9-22(20)21/h2-9,14,17H,10-13,15-16H2,1H3/b21-14-
InChIKey
IOZZAQUTBOAUNK-STZFKDTASA-N
Compound name
1-methyl-3-[(Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaenylidenemethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1987 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20598 173.8
[M+Na]+ 326.18792 177.9
[M-H]- 302.19142 176.5
[M+NH4]+ 321.23252 181.4
[M+K]+ 342.16186 175.5
[M+H-H2O]+ 286.19596 168.5
[M+HCOO]- 348.19690 180.6
[M+CH3COO]- 362.21255 177.0
[M+Na-2H]- 324.17337 171.3
[M]+ 303.19815 171.2
[M]- 303.19925 171.2
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.