CID 49554

5h-dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(1-methyl-3-pyrrolidinyl)methyl-, hydrochloride

Structural Information

Molecular Formula
C22H24N2
SMILES
CN1CCC(C1)CC2(C3=CC=CC=C3CCC4=CC=CC=C42)C#N
InChI
InChI=1S/C22H24N2/c1-24-13-12-17(15-24)14-22(16-23)20-8-4-2-6-18(20)10-11-19-7-3-5-9-21(19)22/h2-9,17H,10-15H2,1H3
InChIKey
OYTHSZKGWWWLIN-UHFFFAOYSA-N
Compound name
2-[(1-methylpyrrolidin-3-yl)methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.19394 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20122 180.3
[M+Na]+ 339.18316 191.5
[M+NH4]+ 334.22776 187.0
[M+K]+ 355.15710 180.5
[M-H]- 315.18666 177.9
[M+Na-2H]- 337.16861 184.4
[M]+ 316.19339 180.8
[M]- 316.19449 180.8
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.