CID 487395

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

Structural Information

Molecular Formula
C16H16N4O
SMILES
CCN1C2=CC=CC=C2N(C3=C(C1=O)C=CN=N3)C4CC4
InChI
InChI=1S/C16H16N4O/c1-2-19-13-5-3-4-6-14(13)20(11-7-8-11)15-12(16(19)21)9-10-17-18-15/h3-6,9-11H,2,7-8H2,1H3
InChIKey
ZHCKSKHDJUORFT-UHFFFAOYSA-N
Compound name
11-cyclopropyl-6-ethylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13242 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 176.1
[M+Na]+ 303.12164 186.8
[M-H]- 279.12514 180.7
[M+NH4]+ 298.16624 183.7
[M+K]+ 319.09558 183.5
[M+H-H2O]+ 263.12968 165.4
[M+HCOO]- 325.13062 191.5
[M+CH3COO]- 339.14627 185.3
[M+Na-2H]- 301.10709 181.0
[M]+ 280.13187 176.0
[M]- 280.13297 176.0
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.