CID 3039461

Dl-12-(2'-dimethylaminoethyl)-10,11-dihydro-5,10-imino-(5h)-dibenz0(a,d)cycloheptene fumarate

Structural Information

Molecular Formula
C19H22N2
SMILES
CN(C)CCN1C2CC3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C19H22N2/c1-20(2)11-12-21-18-13-14-7-3-4-8-15(14)19(21)17-10-6-5-9-16(17)18/h3-10,18-19H,11-13H2,1-2H3
InChIKey
UTAQNGAXAREXKV-UHFFFAOYSA-N
Compound name
2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17828 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 166.1
[M+Na]+ 301.16750 173.3
[M-H]- 277.17100 170.4
[M+NH4]+ 296.21210 186.7
[M+K]+ 317.14144 168.1
[M+H-H2O]+ 261.17554 158.0
[M+HCOO]- 323.17648 184.4
[M+CH3COO]- 337.19213 177.3
[M+Na-2H]- 299.15295 171.5
[M]+ 278.17773 167.4
[M]- 278.17883 167.4
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.