CID 334633

67744-83-6

Structural Information

Molecular Formula
C20H21N3O2
SMILES
C1CC(N2C(=O)CN(CC(=O)N2C1)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3O2/c24-19-14-21(17-10-5-2-6-11-17)15-20(25)23-18(12-7-13-22(19)23)16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2
InChIKey
IJQFFEGMNCXLHL-UHFFFAOYSA-N
Compound name
3,7-diphenyl-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 182.9
[M+Na]+ 358.15262 187.7
[M-H]- 334.15612 189.1
[M+NH4]+ 353.19722 191.9
[M+K]+ 374.12656 185.8
[M+H-H2O]+ 318.16066 171.1
[M+HCOO]- 380.16160 195.3
[M+CH3COO]- 394.17725 190.6
[M+Na-2H]- 356.13807 184.5
[M]+ 335.16285 174.5
[M]- 335.16395 174.5
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.