CID 334624

67744-75-6

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CC1CCCN2N1C(=O)CN(CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H19N3O2/c1-12-6-5-9-17-14(19)10-16(11-15(20)18(12)17)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKey
GZVGTDXDLQGABD-UHFFFAOYSA-N
Compound name
7-methyl-3-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

273.14774 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 163.6
[M+Na]+ 296.13696 169.2
[M-H]- 272.14046 167.5
[M+NH4]+ 291.18156 175.8
[M+K]+ 312.11090 169.0
[M+H-H2O]+ 256.14500 153.5
[M+HCOO]- 318.14594 176.7
[M+CH3COO]- 332.16159 172.9
[M+Na-2H]- 294.12241 165.9
[M]+ 273.14719 156.3
[M]- 273.14829 156.3
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.