CID 90177101

1443049-83-9

Structural Information

Molecular Formula
C27H18ClN3
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C27H18ClN3/c28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-18H
InChIKey
MMAIMCOMSPMTKJ-UHFFFAOYSA-N
Compound name
2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

419.11893 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.12621 206.7
[M+Na]+ 442.10815 230.0
[M+NH4]+ 437.15275 216.1
[M+K]+ 458.08209 216.1
[M-H]- 418.11165 218.3
[M+Na-2H]- 440.09360 223.8
[M]+ 419.11838 214.3
[M]- 419.11948 214.3
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