CID 5706758

Trimethylammonium-diphenylhexatriene

Structural Information

Molecular Formula
C21H24N
SMILES
C[N+](C)(C)C1=CC=C(C=C1)/C=C/C=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C21H24N/c1-22(2,3)21-17-15-20(16-18-21)14-8-5-4-7-11-19-12-9-6-10-13-19/h4-18H,1-3H3/q+1/b5-4+,11-7+,14-8+
InChIKey
RHDOPAJODJADMB-NDYXBGDESA-N
Compound name
trimethyl-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

256
References

13
Patents

290.1909 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19818 172.6
[M+Na]+ 313.18012 189.0
[M+NH4]+ 308.22472 182.4
[M+K]+ 329.15406 179.0
[M-H]- 289.18362 179.9
[M+Na-2H]- 311.16557 183.4
[M]+ 290.19035 177.6
[M]- 290.19145 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe