CID 3039371

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

Structural Information

Molecular Formula
C15H13N
SMILES
C1C2C3=CC=CC=C3C(N2)C4=CC=CC=C41
InChI
InChI=1S/C15H13N/c1-2-6-11-10(5-1)9-14-12-7-3-4-8-13(12)15(11)16-14/h1-8,14-16H,9H2
InChIKey
SAWOLAINNGNEPL-UHFFFAOYSA-N
Compound name
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

2
References

62
Patents

207.1048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11208 143.2
[M+Na]+ 230.09402 151.9
[M-H]- 206.09752 145.4
[M+NH4]+ 225.13862 165.6
[M+K]+ 246.06796 145.4
[M+H-H2O]+ 190.10206 136.6
[M+HCOO]- 252.10300 160.1
[M+CH3COO]- 266.11865 155.4
[M+Na-2H]- 228.07947 151.4
[M]+ 207.10425 140.7
[M]- 207.10535 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe