CID 467434

N-(11-ethyl-5-oxo-6-propyl-pyridazino[4,3-c][1,5]benzodiazepin-8-yl)acetamide

Structural Information

Molecular Formula
C18H21N5O2
SMILES
CCCN1C2=C(C=CC(=C2)NC(=O)C)N(C3=C(C1=O)C=CN=N3)CC
InChI
InChI=1S/C18H21N5O2/c1-4-10-23-16-11-13(20-12(3)24)6-7-15(16)22(5-2)17-14(18(23)25)8-9-19-21-17/h6-9,11H,4-5,10H2,1-3H3,(H,20,24)
InChIKey
SBOCUOGYTZBMEX-UHFFFAOYSA-N
Compound name
N-(11-ethyl-5-oxo-6-propylpyridazino[4,3-c][1,5]benzodiazepin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.16953 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17681 182.9
[M+Na]+ 362.15875 191.6
[M-H]- 338.16225 184.9
[M+NH4]+ 357.20335 193.0
[M+K]+ 378.13269 190.8
[M+H-H2O]+ 322.16679 172.2
[M+HCOO]- 384.16773 197.9
[M+CH3COO]- 398.18338 218.0
[M+Na-2H]- 360.14420 187.2
[M]+ 339.16898 183.1
[M]- 339.17008 183.1
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.