CID 487371

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

Structural Information

Molecular Formula
C15H15ClN4O
SMILES
CCN1C2=C(C=C(C=C2)C)N(C(=O)C3=CC(=NN=C31)Cl)C
InChI
InChI=1S/C15H15ClN4O/c1-4-20-11-6-5-9(2)7-12(11)19(3)15(21)10-8-13(16)17-18-14(10)20/h5-8H,4H2,1-3H3
InChIKey
CHEZNRSKFRTNMP-UHFFFAOYSA-N
Compound name
3-chloro-11-ethyl-6,8-dimethylpyridazino[3,4-b][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.09344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10072 168.4
[M+Na]+ 325.08266 181.4
[M-H]- 301.08616 170.5
[M+NH4]+ 320.12726 181.6
[M+K]+ 341.05660 179.0
[M+H-H2O]+ 285.09070 158.4
[M+HCOO]- 347.09164 179.6
[M+CH3COO]- 361.10729 179.3
[M+Na-2H]- 323.06811 173.5
[M]+ 302.09289 170.3
[M]- 302.09399 170.3
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.