CID 487399

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

Structural Information

Molecular Formula
C17H18N4O
SMILES
CCN1C2=C(C=CC(=C2)C)N(C3=C(C1=O)C=CN=N3)C4CC4
InChI
InChI=1S/C17H18N4O/c1-3-20-15-10-11(2)4-7-14(15)21(12-5-6-12)16-13(17(20)22)8-9-18-19-16/h4,7-10,12H,3,5-6H2,1-2H3
InChIKey
RTLIMYAHLBBQLZ-UHFFFAOYSA-N
Compound name
11-cyclopropyl-6-ethyl-8-methylpyridazino[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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 180.7
[M+Na]+ 317.13729 191.8
[M-H]- 293.14079 185.5
[M+NH4]+ 312.18189 188.1
[M+K]+ 333.11123 188.4
[M+H-H2O]+ 277.14533 170.1
[M+HCOO]- 339.14627 195.7
[M+CH3COO]- 353.16192 189.9
[M+Na-2H]- 315.12274 184.5
[M]+ 294.14752 181.4
[M]- 294.14862 181.4
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.