CID 325665

32494-23-8

Structural Information

Molecular Formula
C16H10N4O4
SMILES
C1=CC=C(C=C1)N2C(=O)N3C(=O)N(C(=O)N3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C16H10N4O4/c21-13-17(11-7-3-1-4-8-11)14(22)20-16(24)18(15(23)19(13)20)12-9-5-2-6-10-12/h1-10H
InChIKey
JUNJLWPWKDPNEW-UHFFFAOYSA-N
Compound name
2,6-diphenyl-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5,7-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0702 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07748 169.7
[M+Na]+ 345.05942 184.5
[M-H]- 321.06292 178.3
[M+NH4]+ 340.10402 183.3
[M+K]+ 361.03336 178.5
[M+H-H2O]+ 305.06746 160.2
[M+HCOO]- 367.06840 193.2
[M+CH3COO]- 381.08405 183.0
[M+Na-2H]- 343.04487 172.4
[M]+ 322.06965 175.8
[M]- 322.07075 175.8
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.