CID 487391

6,11-dipropylpyridazino[4,3-c][1,5]benzodiazepin-5-one

Structural Information

Molecular Formula
C17H20N4O
SMILES
CCCN1C2=CC=CC=C2N(C(=O)C3=C1N=NC=C3)CCC
InChI
InChI=1S/C17H20N4O/c1-3-11-20-14-7-5-6-8-15(14)21(12-4-2)17(22)13-9-10-18-19-16(13)20/h5-10H,3-4,11-12H2,1-2H3
InChIKey
LSOOHDFLKFNHAL-UHFFFAOYSA-N
Compound name
6,11-dipropylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1637 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 171.6
[M+Na]+ 319.15292 180.7
[M-H]- 295.15642 173.1
[M+NH4]+ 314.19752 183.5
[M+K]+ 335.12686 178.8
[M+H-H2O]+ 279.16096 161.1
[M+HCOO]- 341.16190 186.4
[M+CH3COO]- 355.17755 181.3
[M+Na-2H]- 317.13837 177.4
[M]+ 296.16315 171.5
[M]- 296.16425 171.5
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.