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]+ 304.205976 173.8
[M+Na]+ 326.187918 177.9
[M-H]- 302.191424 176.5
[M+NH4]+ 321.232523 181.4
[M+K]+ 342.161858 175.5
[M+H-H2O]+ 286.195960 168.5
[M+HCOO]- 348.196901 180.6
[M+CH3COO]- 362.212551 177.0
[M+Na-2H]- 324.173366 171.3
[M]+ 303.19815142 171.2
[M]- 303.19924858 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.