CID 334623

67744-74-5

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CC1CCCN2N1C(=O)CN(CC2=O)CCC3=CC=CC=C3
InChI
InChI=1S/C17H23N3O2/c1-14-6-5-10-19-16(21)12-18(13-17(22)20(14)19)11-9-15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3
InChIKey
SYUGDVHJQKNRMA-UHFFFAOYSA-N
Compound name
7-methyl-3-(2-phenylethyl)-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

301.17902 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 172.1
[M+Na]+ 324.16824 176.9
[M-H]- 300.17174 175.6
[M+NH4]+ 319.21284 183.2
[M+K]+ 340.14218 176.3
[M+H-H2O]+ 284.17628 161.6
[M+HCOO]- 346.17722 184.5
[M+CH3COO]- 360.19287 180.5
[M+Na-2H]- 322.15369 173.4
[M]+ 301.17847 165.5
[M]- 301.17957 165.5
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.