CID 23182

6726-45-0

Structural Information

Molecular Formula
C24H21N3
SMILES
CC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C
InChI
InChI=1S/C24H21N3/c1-16-4-10-19(11-5-16)22-25-23(20-12-6-17(2)7-13-20)27-24(26-22)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKey
FLJCTCVDRKPLHJ-UHFFFAOYSA-N
Compound name
2,4,6-tris(4-methylphenyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

351.17355 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.18083 189.7
[M+Na]+ 374.16277 210.6
[M+NH4]+ 369.20737 198.4
[M+K]+ 390.13671 199.1
[M-H]- 350.16627 198.9
[M+Na-2H]- 372.14822 204.1
[M]+ 351.17300 195.8
[M]- 351.17410 195.8
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