CID 203568

14692-45-6

Structural Information

Molecular Formula
C21H25N
SMILES
CCN(CC)CC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C21H25N/c1-3-22(4-2)14-15-13-20-16-9-5-7-11-18(16)21(15)19-12-8-6-10-17(19)20/h5-12,15,20-21H,3-4,13-14H2,1-2H3
InChIKey
GIKVOAWVDHABHQ-UHFFFAOYSA-N
Compound name
N-ethyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.1987 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.205976 169.0
[M+Na]+ 314.187918 172.2
[M-H]- 290.191424 171.6
[M+NH4]+ 309.232523 189.2
[M+K]+ 330.161858 167.5
[M+H-H2O]+ 274.195960 159.8
[M+HCOO]- 336.196901 182.4
[M+CH3COO]- 350.212551 178.2
[M+Na-2H]- 312.173366 176.9
[M]+ 291.19815142 171.4
[M]- 291.19924858 171.4
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