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]+ 270.10442 161.6
[M+Na]+ 292.08636 171.4
[M-H]- 268.08986 164.6
[M+NH4]+ 287.13096 183.2
[M+K]+ 308.06030 163.8
[M+H-H2O]+ 252.09440 154.7
[M+HCOO]- 314.09534 174.5
[M+CH3COO]- 328.11099 173.3
[M+Na-2H]- 290.07181 167.5
[M]+ 269.09659 163.9
[M]- 269.09769 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.