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

123
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 190.4
[M+Na]+ 374.16277 199.8
[M-H]- 350.16627 199.2
[M+NH4]+ 369.20737 198.8
[M+K]+ 390.13671 191.1
[M+H-H2O]+ 334.17081 177.2
[M+HCOO]- 396.17175 209.2
[M+CH3COO]- 410.18740 200.1
[M+Na-2H]- 372.14822 194.0
[M]+ 351.17300 190.4
[M]- 351.17410 190.4
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

No patent data available for this compound.