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]+ 295.155346 180.0
[M+Na]+ 317.137288 190.3
[M-H]- 293.140794 184.4
[M+NH4]+ 312.181893 187.1
[M+K]+ 333.111228 186.8
[M+H-H2O]+ 277.145330 169.1
[M+HCOO]- 339.146271 195.1
[M+CH3COO]- 353.161921 188.9
[M+Na-2H]- 315.122736 184.5
[M]+ 294.14752142 180.2
[M]- 294.14861858 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.