CID 52301

73728-49-1

Structural Information

Molecular Formula
C19H22N2
SMILES
CNCCN(C)C1C2=CC=CC=C2C=CC3=CC=CC=C13
InChI
InChI=1S/C19H22N2/c1-20-13-14-21(2)19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-12,19-20H,13-14H2,1-2H3
InChIKey
FVXFLKOALVGNCQ-UHFFFAOYSA-N
Compound name
N,N'-dimethyl-N'-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17828 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 165.6
[M+Na]+ 301.16750 177.5
[M+NH4]+ 296.21210 174.9
[M+K]+ 317.14144 169.8
[M-H]- 277.17100 171.2
[M+Na-2H]- 299.15295 173.3
[M]+ 278.17773 169.1
[M]- 278.17883 169.1
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.