CID 3039461

50626-33-0

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]+ 279.185556 166.1
[M+Na]+ 301.167498 173.3
[M-H]- 277.171004 170.4
[M+NH4]+ 296.212103 186.7
[M+K]+ 317.141438 168.1
[M+H-H2O]+ 261.175540 158.0
[M+HCOO]- 323.176481 184.4
[M+CH3COO]- 337.192131 177.3
[M+Na-2H]- 299.152946 171.5
[M]+ 278.17773142 167.4
[M]- 278.17882858 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.