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

24
Patents

279.1987 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.205976 165.9
[M+Na]+ 302.187918 170.5
[M-H]- 278.191424 173.0
[M+NH4]+ 297.232523 183.5
[M+K]+ 318.161858 170.1
[M+H-H2O]+ 262.195960 160.3
[M+HCOO]- 324.196901 186.0
[M+CH3COO]- 338.212551 176.8
[M+Na-2H]- 300.173366 171.4
[M]+ 279.19815142 164.0
[M]- 279.19924858 164.0
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