CID 170916601

Mfcd34705240

Structural Information

Molecular Formula
C25H24N4
SMILES
CC1=CN=C(C=C1)C2=CC(=CC(=N2)C3=NC=C(C=C3)C)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C25H24N4/c1-17-5-11-22(26-15-17)24-13-20(19-7-9-21(10-8-19)29(3)4)14-25(28-24)23-12-6-18(2)16-27-23/h5-16H,1-4H3
InChIKey
AQFNSOBHECDSMZ-UHFFFAOYSA-N
Compound name
4-[2,6-bis(5-methylpyridin-2-yl)pyridin-4-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.2001 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20738 198.0
[M+Na]+ 403.18932 206.1
[M-H]- 379.19282 208.0
[M+NH4]+ 398.23392 205.4
[M+K]+ 419.16326 198.5
[M+H-H2O]+ 363.19736 184.2
[M+HCOO]- 425.19830 217.9
[M+CH3COO]- 439.21395 207.2
[M+Na-2H]- 401.17477 201.1
[M]+ 380.19955 199.0
[M]- 380.20065 199.0
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

No patent data available for this compound.