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]+ 279.185556 164.9
[M+Na]+ 301.167498 170.1
[M-H]- 277.171004 172.4
[M+NH4]+ 296.212103 182.3
[M+K]+ 317.141438 170.3
[M+H-H2O]+ 261.175540 159.0
[M+HCOO]- 323.176481 187.7
[M+CH3COO]- 337.192131 176.2
[M+Na-2H]- 299.152946 172.3
[M]+ 278.17773142 163.5
[M]- 278.17882858 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.