CID 487384

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

Structural Information

Molecular Formula
C14H14N4O
SMILES
CCN1C2=CC=CC=C2N(C(=O)C3=C1N=NC=C3)C
InChI
InChI=1S/C14H14N4O/c1-3-18-12-7-5-4-6-11(12)17(2)14(19)10-8-9-15-16-13(10)18/h4-9H,3H2,1-2H3
InChIKey
MQWMYUSUTKMTJH-UHFFFAOYSA-N
Compound name
11-ethyl-6-methylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11676 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.124036 158.5
[M+Na]+ 277.105978 169.0
[M-H]- 253.109484 160.6
[M+NH4]+ 272.150583 172.1
[M+K]+ 293.079918 167.7
[M+H-H2O]+ 237.114020 148.7
[M+HCOO]- 299.114961 174.4
[M+CH3COO]- 313.130611 169.5
[M+Na-2H]- 275.091426 165.9
[M]+ 254.11621142 157.6
[M]- 254.11730858 157.6
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.