CID 3039387

(+-)-10,11-dihydro-12-(2-chloroethyl)-5h-dibenzo(a,d)cyclohepten-5,10-imine

Structural Information

Molecular Formula
C17H16ClN
SMILES
C1C2C3=CC=CC=C3C(N2CCCl)C4=CC=CC=C41
InChI
InChI=1S/C17H16ClN/c18-9-10-19-16-11-12-5-1-2-6-13(12)17(19)15-8-4-3-7-14(15)16/h1-8,16-17H,9-11H2
InChIKey
QCFCLVUOLKBBPV-UHFFFAOYSA-N
Compound name
16-(2-chloroethyl)-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

269.09714 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.104416 161.6
[M+Na]+ 292.086358 171.4
[M-H]- 268.089864 164.6
[M+NH4]+ 287.130963 183.2
[M+K]+ 308.060298 163.8
[M+H-H2O]+ 252.094400 154.7
[M+HCOO]- 314.095341 174.5
[M+CH3COO]- 328.110991 173.3
[M+Na-2H]- 290.071806 167.5
[M]+ 269.09659142 163.9
[M]- 269.09768858 163.9
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.