CID 90177143

1443049-85-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

419.11893 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.12621 204.9
[M+Na]+ 442.10815 213.6
[M-H]- 418.11165 215.2
[M+NH4]+ 437.15275 210.0
[M+K]+ 458.08209 202.5
[M+H-H2O]+ 402.11619 189.7
[M+HCOO]- 464.11713 218.5
[M+CH3COO]- 478.13278 212.8
[M+Na-2H]- 440.09360 209.1
[M]+ 419.11838 204.7
[M]- 419.11948 204.7
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