CID 334620

67744-71-2

Structural Information

Molecular Formula
C13H23N3O2
SMILES
CC1CCCN2N1C(=O)CN(CC2=O)CC(C)C
InChI
InChI=1S/C13H23N3O2/c1-10(2)7-14-8-12(17)15-6-4-5-11(3)16(15)13(18)9-14/h10-11H,4-9H2,1-3H3
InChIKey
VUBLPJLURZRNKQ-UHFFFAOYSA-N
Compound name
7-methyl-3-(2-methylpropyl)-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

253.17903 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.18631 156.6
[M+Na]+ 276.16825 161.4
[M-H]- 252.17175 157.4
[M+NH4]+ 271.21285 170.0
[M+K]+ 292.14219 163.0
[M+H-H2O]+ 236.17629 147.8
[M+HCOO]- 298.17723 168.1
[M+CH3COO]- 312.19288 199.6
[M+Na-2H]- 274.15370 157.0
[M]+ 253.17848 150.7
[M]- 253.17958 150.7
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.