CID 487396

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

Structural Information

Molecular Formula
C17H18N4O
SMILES
CCCN1C2=CC=CC=C2N(C3=C(C1=O)C=CN=N3)C4CC4
InChI
InChI=1S/C17H18N4O/c1-2-11-20-14-5-3-4-6-15(14)21(12-7-8-12)16-13(17(20)22)9-10-18-19-16/h3-6,9-10,12H,2,7-8,11H2,1H3
InChIKey
QOHLORKOUNDSIJ-UHFFFAOYSA-N
Compound name
11-cyclopropyl-6-propylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14807 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 180.0
[M+Na]+ 317.13729 190.3
[M-H]- 293.14079 184.4
[M+NH4]+ 312.18189 187.1
[M+K]+ 333.11123 186.8
[M+H-H2O]+ 277.14533 169.1
[M+HCOO]- 339.14627 195.1
[M+CH3COO]- 353.16192 188.9
[M+Na-2H]- 315.12274 184.5
[M]+ 294.14752 180.2
[M]- 294.14862 180.2
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.