CID 3039384

Dl-12-benzyl-10,11-dihydro-5,10-imino-(5h)-dibenzo(a,d)cycloheptene

Structural Information

Molecular Formula
C22H19N
SMILES
C1C2C3=CC=CC=C3C(N2CC4=CC=CC=C4)C5=CC=CC=C51
InChI
InChI=1S/C22H19N/c1-2-8-16(9-3-1)15-23-21-14-17-10-4-5-11-18(17)22(23)20-13-7-6-12-19(20)21/h1-13,21-22H,14-15H2
InChIKey
UIVPWWLDMMZMBW-UHFFFAOYSA-N
Compound name
16-benzyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.15176 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15904 169.9
[M+Na]+ 320.14098 177.8
[M-H]- 296.14448 176.0
[M+NH4]+ 315.18558 188.7
[M+K]+ 336.11492 169.9
[M+H-H2O]+ 280.14902 160.5
[M+HCOO]- 342.14996 186.9
[M+CH3COO]- 356.16561 180.6
[M+Na-2H]- 318.12643 175.7
[M]+ 297.15121 168.8
[M]- 297.15231 168.8
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.