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 157.2
[M+Na]+ 270.12532 166.0
[M-H]- 246.12882 160.4
[M+NH4]+ 265.16992 178.8
[M+K]+ 286.09926 159.1
[M+H-H2O]+ 230.13336 149.8
[M+HCOO]- 292.13430 174.6
[M+CH3COO]- 306.14995 169.0
[M+Na-2H]- 268.11077 163.2
[M]+ 247.13555 156.9
[M]- 247.13665 156.9
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.