CID 25380

19660-95-8

Structural Information

Molecular Formula
C20H25N
SMILES
CN(C)CCCC1C2=CC=CC=C2CCC3=CC=CC=C13
InChI
InChI=1S/C20H25N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-11,20H,7,12-15H2,1-2H3
InChIKey
PLDONKUSBQJOGO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

279.1987 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20598 166.4
[M+Na]+ 302.18792 178.5
[M+NH4]+ 297.23252 176.1
[M+K]+ 318.16186 170.5
[M-H]- 278.19142 171.6
[M+Na-2H]- 300.17337 173.5
[M]+ 279.19815 169.9
[M]- 279.19925 169.9
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

patents stripe