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 201.9
[M+Na]+ 402.20666 208.5
[M-H]- 378.21016 214.5
[M+NH4]+ 397.25126 211.7
[M+K]+ 418.18060 196.1
[M+H-H2O]+ 362.21470 191.9
[M+HCOO]- 424.21564 223.4
[M+CH3COO]- 438.23129 222.6
[M+Na-2H]- 400.19211 205.4
[M]+ 379.21689 201.4
[M]- 379.21799 201.4
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