CID 3039381

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

Structural Information

Molecular Formula
C18H17N
SMILES
C=CCN1C2CC3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C18H17N/c1-2-11-19-17-12-13-7-3-4-8-14(13)18(19)16-10-6-5-9-15(16)17/h2-10,17-18H,1,11-12H2
InChIKey
LLJTUXQHNWYCNP-UHFFFAOYSA-N
Compound name
16-prop-2-enyl-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

247.1361 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14338 158.0
[M+Na]+ 270.12532 173.1
[M+NH4]+ 265.16992 169.3
[M+K]+ 286.09926 164.6
[M-H]- 246.12882 161.6
[M+Na-2H]- 268.11077 162.7
[M]+ 247.13555 161.4
[M]- 247.13665 161.4
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.