CID 487389

5h-pyridazino[3,4-b][1,5]benzodiazepin-5-one, 11-ethyl-6,11-dihydro-8-methyl-6-propyl-

Structural Information

Molecular Formula
C17H20N4O
SMILES
CCCN1C2=C(C=CC(=C2)C)N(C3=C(C1=O)C=CN=N3)CC
InChI
InChI=1S/C17H20N4O/c1-4-10-21-15-11-12(3)6-7-14(15)20(5-2)16-13(17(21)22)8-9-18-19-16/h6-9,11H,4-5,10H2,1-3H3
InChIKey
IQDRBLXILMQFOC-UHFFFAOYSA-N
Compound name
11-ethyl-8-methyl-6-propylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1637 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 172.2
[M+Na]+ 319.15292 182.1
[M-H]- 295.15642 174.0
[M+NH4]+ 314.19752 184.3
[M+K]+ 335.12686 180.3
[M+H-H2O]+ 279.16096 161.9
[M+HCOO]- 341.16190 186.9
[M+CH3COO]- 355.17755 182.1
[M+Na-2H]- 317.13837 177.2
[M]+ 296.16315 172.5
[M]- 296.16425 172.5
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.