CID 472621

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

Structural Information

Molecular Formula
C15H14N4O
SMILES
CN1C2=CC=CC=C2N(C3=C(C1=O)C=CN=N3)C4CC4
InChI
InChI=1S/C15H14N4O/c1-18-12-4-2-3-5-13(12)19(10-6-7-10)14-11(15(18)20)8-9-16-17-14/h2-5,8-10H,6-7H2,1H3
InChIKey
VHPROYZVOKLNSR-UHFFFAOYSA-N
Compound name
11-cyclopropyl-6-methylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11676 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.124036 172.1
[M+Na]+ 289.105978 183.3
[M-H]- 265.109484 176.9
[M+NH4]+ 284.150583 180.3
[M+K]+ 305.079918 180.2
[M+H-H2O]+ 249.114020 161.6
[M+HCOO]- 311.114961 187.8
[M+CH3COO]- 325.130611 181.8
[M+Na-2H]- 287.091426 177.6
[M]+ 266.11621142 171.8
[M]- 266.11730858 171.8
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.