CID 113097

63149-30-4

Structural Information

Molecular Formula
C27H27N2
SMILES
CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C)N(C)C3=CC=CC=C3)C4=CC=C(C=C4)C
InChI
InChI=1S/C27H27N2/c1-20-10-14-23(15-11-20)25-18-22(3)29(28(4)26-8-6-5-7-9-26)27(19-25)24-16-12-21(2)13-17-24/h5-19H,1-4H3/q+1
InChIKey
XLHIGFOUCQTCSJ-UHFFFAOYSA-N
Compound name
N,2-dimethyl-4,6-bis(4-methylphenyl)-N-phenylpyridin-1-ium-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.21744 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22472 197.0
[M+Na]+ 402.20666 218.7
[M+NH4]+ 397.25126 207.9
[M+K]+ 418.18060 207.4
[M-H]- 378.21016 210.1
[M+Na-2H]- 400.19211 212.6
[M]+ 379.21689 204.8
[M]- 379.21799 204.8
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