CID 487390

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

Structural Information

Molecular Formula
C16H18N4O
SMILES
CCCN1C2=CC=CC=C2N(C(=O)C3=C1N=NC=C3)CC
InChI
InChI=1S/C16H18N4O/c1-3-11-20-14-8-6-5-7-13(14)19(4-2)16(21)12-9-10-17-18-15(12)20/h5-10H,3-4,11H2,1-2H3
InChIKey
KLWLEMYKHHAFFS-UHFFFAOYSA-N
Compound name
6-ethyl-11-propylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.14807 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15535 167.3
[M+Na]+ 305.13729 176.8
[M-H]- 281.14079 168.9
[M+NH4]+ 300.18189 179.7
[M+K]+ 321.11123 175.1
[M+H-H2O]+ 265.14533 157.0
[M+HCOO]- 327.14627 182.4
[M+CH3COO]- 341.16192 177.4
[M+Na-2H]- 303.12274 173.6
[M]+ 282.14752 166.9
[M]- 282.14862 166.9
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.