CID 334621

67744-72-3

Structural Information

Molecular Formula
C15H25N3O2
SMILES
CC1CCCN2N1C(=O)CN(CC2=O)C3CCCCC3
InChI
InChI=1S/C15H25N3O2/c1-12-6-5-9-17-14(19)10-16(11-15(20)18(12)17)13-7-3-2-4-8-13/h12-13H,2-11H2,1H3
InChIKey
DGDJIANJRRBKNA-UHFFFAOYSA-N
Compound name
3-cyclohexyl-7-methyl-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

279.19467 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20195 167.5
[M+Na]+ 302.18389 170.0
[M-H]- 278.18739 170.1
[M+NH4]+ 297.22849 179.0
[M+K]+ 318.15783 170.1
[M+H-H2O]+ 262.19193 157.0
[M+HCOO]- 324.19287 176.3
[M+CH3COO]- 338.20852 175.0
[M+Na-2H]- 300.16934 166.7
[M]+ 279.19412 156.1
[M]- 279.19522 156.1
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.