CID 334629

Nsc340328

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CCCCN1CC(=O)N2CCCC(N2C(=O)C1)C3=CC=CC=C3
InChI
InChI=1S/C18H25N3O2/c1-2-3-11-19-13-17(22)20-12-7-10-16(21(20)18(23)14-19)15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3
InChIKey
CZSCRBPDWANYEH-UHFFFAOYSA-N
Compound name
3-butyl-7-phenyl-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

315.19467 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 176.4
[M+Na]+ 338.18389 180.7
[M-H]- 314.18739 179.6
[M+NH4]+ 333.22849 186.9
[M+K]+ 354.15783 179.8
[M+H-H2O]+ 298.19193 165.6
[M+HCOO]- 360.19287 188.4
[M+CH3COO]- 374.20852 184.3
[M+Na-2H]- 336.16934 177.1
[M]+ 315.19412 170.0
[M]- 315.19522 170.0
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.