CID 23527810

440354-93-8

Structural Information

Molecular Formula
C33H22N4
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=CC=CC=C64)C7=CC=CC=C7
InChI
InChI=1S/C33H22N4/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37/h1-22H
InChIKey
CUNRCBBBPBWPTM-UHFFFAOYSA-N
Compound name
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

470
Patents

474.18445 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.19173 220.7
[M+Na]+ 497.17367 229.6
[M-H]- 473.17717 232.2
[M+NH4]+ 492.21827 224.5
[M+K]+ 513.14761 217.5
[M+H-H2O]+ 457.18171 204.2
[M+HCOO]- 519.18265 236.3
[M+CH3COO]- 533.19830 227.3
[M+Na-2H]- 495.15912 223.9
[M]+ 474.18390 219.8
[M]- 474.18500 219.8
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