CID 467430

8-amino-11-cyclopropyl-6-methyl-pyridazino[4,3-c][1,5]benzodiazepin-5-one

Structural Information

Molecular Formula
C15H15N5O
SMILES
CN1C2=C(C=CC(=C2)N)N(C3=C(C1=O)C=CN=N3)C4CC4
InChI
InChI=1S/C15H15N5O/c1-19-13-8-9(16)2-5-12(13)20(10-3-4-10)14-11(15(19)21)6-7-17-18-14/h2,5-8,10H,3-4,16H2,1H3
InChIKey
CPWUMURUPLSEML-UHFFFAOYSA-N
Compound name
8-amino-11-cyclopropyl-6-methylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.12766 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13494 175.9
[M+Na]+ 304.11688 187.3
[M-H]- 280.12038 180.8
[M+NH4]+ 299.16148 183.4
[M+K]+ 320.09082 184.0
[M+H-H2O]+ 264.12492 165.6
[M+HCOO]- 326.12586 192.1
[M+CH3COO]- 340.14151 185.3
[M+Na-2H]- 302.10233 180.6
[M]+ 281.12711 174.8
[M]- 281.12821 174.8
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.