CID 3039376

(+-)-10,11-dihydro-12-acetyl-5h-dibenzo(a,d)cyclohepten-5,10-imine

Structural Information

Molecular Formula
C17H15NO
SMILES
CC(=O)N1C2CC3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C17H15NO/c1-11(19)18-16-10-12-6-2-3-7-13(12)17(18)15-9-5-4-8-14(15)16/h2-9,16-17H,10H2,1H3
InChIKey
RGETZHQIKNBCSQ-UHFFFAOYSA-N
Compound name
1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12265 156.6
[M+Na]+ 272.10459 171.1
[M+NH4]+ 267.14919 167.4
[M+K]+ 288.07853 164.1
[M-H]- 248.10809 159.6
[M+Na-2H]- 270.09004 160.8
[M]+ 249.11482 159.6
[M]- 249.11592 159.6
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.