CID 467436

Benzodiazepin-5-one deriv.

Structural Information

Molecular Formula
C15H15ClN4O
SMILES
CCCN1C2=C(C=C(C=C2)Cl)N(C(=O)C3=C1N=NC=C3)C
InChI
InChI=1S/C15H15ClN4O/c1-3-8-20-12-5-4-10(16)9-13(12)19(2)15(21)11-6-7-17-18-14(11)20/h4-7,9H,3,8H2,1-2H3
InChIKey
ZTESWYFJDSDIRB-UHFFFAOYSA-N
Compound name
8-chloro-6-methyl-11-propylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.09344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10072 167.9
[M+Na]+ 325.08266 180.0
[M-H]- 301.08616 169.5
[M+NH4]+ 320.12726 180.8
[M+K]+ 341.05660 177.5
[M+H-H2O]+ 285.09070 157.6
[M+HCOO]- 347.09164 179.1
[M+CH3COO]- 361.10729 178.5
[M+Na-2H]- 323.06811 173.7
[M]+ 302.09289 169.3
[M]- 302.09399 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.