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 164.9
[M+Na]+ 301.16750 170.1
[M-H]- 277.17100 172.4
[M+NH4]+ 296.21210 182.3
[M+K]+ 317.14144 170.3
[M+H-H2O]+ 261.17554 159.0
[M+HCOO]- 323.17648 187.7
[M+CH3COO]- 337.19213 176.2
[M+Na-2H]- 299.15295 172.3
[M]+ 278.17773 163.5
[M]- 278.17883 163.5
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.