CID 4199467

71233-35-7

Structural Information

Molecular Formula
C28H22N4O2
SMILES
C1=CC=C(C=C1)C2N(C(=O)N3N2C(=O)N(C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C28H22N4O2/c33-27-29(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)31-28(34)30(24-19-11-4-12-20-24)26(32(27)31)22-15-7-2-8-16-22/h1-20,25-26H
InChIKey
CDDNERAIBZNHJN-UHFFFAOYSA-N
Compound name
1,2,5,6-tetraphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1743 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.18158 209.7
[M+Na]+ 469.16352 217.0
[M-H]- 445.16702 221.4
[M+NH4]+ 464.20812 216.2
[M+K]+ 485.13746 208.1
[M+H-H2O]+ 429.17156 195.9
[M+HCOO]- 491.17250 224.7
[M+CH3COO]- 505.18815 217.2
[M+Na-2H]- 467.14897 205.5
[M]+ 446.17375 206.9
[M]- 446.17485 206.9
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.