CID 467429

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

Structural Information

Molecular Formula
C16H19N5O
SMILES
CCCN1C2=C(C=C(C=C2)N)N(C(=O)C3=C1N=NC=C3)CC
InChI
InChI=1S/C16H19N5O/c1-3-9-21-13-6-5-11(17)10-14(13)20(4-2)16(22)12-7-8-18-19-15(12)21/h5-8,10H,3-4,9,17H2,1-2H3
InChIKey
KWXAPIOEMXSANJ-UHFFFAOYSA-N
Compound name
8-amino-6-ethyl-11-propylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.15897 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16625 173.2
[M+Na]+ 320.14819 182.9
[M-H]- 296.15169 174.9
[M+NH4]+ 315.19279 184.9
[M+K]+ 336.12213 181.4
[M+H-H2O]+ 280.15623 162.7
[M+HCOO]- 342.15717 188.8
[M+CH3COO]- 356.17282 182.9
[M+Na-2H]- 318.13364 178.4
[M]+ 297.15842 171.8
[M]- 297.15952 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

literature stripe

Patent stripe

No patent data available for this compound.