CID 6015156

1-[4-(dimethylamino)phenyl]-6-phenylhexatriene

Structural Information

Molecular Formula
C20H21N
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C20H21N/c1-21(2)20-16-14-19(15-17-20)13-7-4-3-6-10-18-11-8-5-9-12-18/h3-17H,1-2H3/b4-3+,10-6+,13-7+
InChIKey
QNBRWGUCMQGGDA-YPXUENLVSA-N
Compound name
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

275.1674 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17468 168.2
[M+Na]+ 298.15662 173.6
[M-H]- 274.16012 175.3
[M+NH4]+ 293.20122 184.5
[M+K]+ 314.13056 167.7
[M+H-H2O]+ 258.16466 159.7
[M+HCOO]- 320.16560 192.7
[M+CH3COO]- 334.18125 205.0
[M+Na-2H]- 296.14207 171.9
[M]+ 275.16685 167.9
[M]- 275.16795 167.9
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