CID 3039383

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

Structural Information

Molecular Formula
C19H21N
SMILES
CCCCN1C2CC3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C19H21N/c1-2-3-12-20-18-13-14-8-4-5-9-15(14)19(20)17-11-7-6-10-16(17)18/h4-11,18-19H,2-3,12-13H2,1H3
InChIKey
RTGGNNMPLQCWLS-UHFFFAOYSA-N
Compound name
16-butyl-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

263.1674 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 163.1
[M+Na]+ 286.15662 171.1
[M-H]- 262.16012 166.1
[M+NH4]+ 281.20122 184.1
[M+K]+ 302.13056 164.6
[M+H-H2O]+ 246.16466 155.4
[M+HCOO]- 308.16560 179.9
[M+CH3COO]- 322.18125 174.3
[M+Na-2H]- 284.14207 168.5
[M]+ 263.16685 163.8
[M]- 263.16795 163.8
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.