CID 334628

67744-79-0

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CC(C)CN1CC(=O)N2CCCC(N2C(=O)C1)C3=CC=CC=C3
InChI
InChI=1S/C18H25N3O2/c1-14(2)11-19-12-17(22)20-10-6-9-16(21(20)18(23)13-19)15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3
InChIKey
FOWZGRHCVKGPGV-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)-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 175.2
[M+Na]+ 338.18389 179.4
[M-H]- 314.18739 178.7
[M+NH4]+ 333.22849 185.7
[M+K]+ 354.15783 179.1
[M+H-H2O]+ 298.19193 164.9
[M+HCOO]- 360.19287 186.4
[M+CH3COO]- 374.20852 209.7
[M+Na-2H]- 336.16934 175.1
[M]+ 315.19412 168.4
[M]- 315.19522 168.4
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.