CID 487379

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

Structural Information

Molecular Formula
C16H15ClN4O
SMILES
CCN1C2=CC=CC=C2N(C3=NN=C(C=C3C1=O)Cl)C4CC4
InChI
InChI=1S/C16H15ClN4O/c1-2-20-12-5-3-4-6-13(12)21(10-7-8-10)15-11(16(20)22)9-14(17)18-19-15/h3-6,9-10H,2,7-8H2,1H3
InChIKey
RNUAITOWVMNWND-UHFFFAOYSA-N
Compound name
3-chloro-11-cyclopropyl-6-ethylpyridazino[3,4-b][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10072 179.7
[M+Na]+ 337.08266 192.2
[M-H]- 313.08616 183.9
[M+NH4]+ 332.12726 187.2
[M+K]+ 353.05660 188.1
[M+H-H2O]+ 297.09070 168.6
[M+HCOO]- 359.09164 190.9
[M+CH3COO]- 373.10729 188.9
[M+Na-2H]- 335.06811 183.7
[M]+ 314.09289 181.6
[M]- 314.09399 181.6
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.