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 165.9
[M+Na]+ 302.18792 170.5
[M-H]- 278.19142 173.0
[M+NH4]+ 297.23252 183.5
[M+K]+ 318.16186 170.1
[M+H-H2O]+ 262.19596 160.3
[M+HCOO]- 324.19690 186.0
[M+CH3COO]- 338.21255 176.8
[M+Na-2H]- 300.17337 171.4
[M]+ 279.19815 164.0
[M]- 279.19925 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