CID 334627

67744-78-9

Structural Information

Molecular Formula
C13H22N4O3
SMILES
CC1CCCN2N1C(=O)CN(CC2=O)N3CCOCC3
InChI
InChI=1S/C13H22N4O3/c1-11-3-2-4-16-12(18)9-15(10-13(19)17(11)16)14-5-7-20-8-6-14/h11H,2-10H2,1H3
InChIKey
MLCGDIZTMJGWKR-UHFFFAOYSA-N
Compound name
7-methyl-3-morpholin-4-yl-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

282.1692 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.17648 167.0
[M+Na]+ 305.15842 170.6
[M-H]- 281.16192 169.1
[M+NH4]+ 300.20302 175.8
[M+K]+ 321.13236 172.2
[M+H-H2O]+ 265.16646 155.0
[M+HCOO]- 327.16740 174.4
[M+CH3COO]- 341.18305 174.5
[M+Na-2H]- 303.14387 167.5
[M]+ 282.16865 157.4
[M]- 282.16975 157.4
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.