CID 11628027

31274-51-8

Structural Information

Molecular Formula
C39H27N3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7
InChI
InChI=1S/C39H27N3/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)37-40-38(35-24-18-32(19-25-35)29-12-6-2-7-13-29)42-39(41-37)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H
InChIKey
CENPSTJGQOQKKW-UHFFFAOYSA-N
Compound name
2,4,6-tris(4-phenylphenyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2537
Patents

537.2205 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.22778 241.0
[M+Na]+ 560.20972 245.9
[M-H]- 536.21322 255.0
[M+NH4]+ 555.25432 238.4
[M+K]+ 576.18366 233.2
[M+H-H2O]+ 520.21776 221.7
[M+HCOO]- 582.21870 255.5
[M+CH3COO]- 596.23435 244.8
[M+Na-2H]- 558.19517 242.4
[M]+ 537.21995 235.5
[M]- 537.22105 235.5
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