CID 487400

5h-pyridazino[3,4-b][1,5]benzodiazepin-5-one, 11-cyclopropyl-6,11-dihydro-8-methyl-6-propyl-

Structural Information

Molecular Formula
C18H20N4O
SMILES
CCCN1C2=C(C=CC(=C2)C)N(C3=C(C1=O)C=CN=N3)C4CC4
InChI
InChI=1S/C18H20N4O/c1-3-10-21-16-11-12(2)4-7-15(16)22(13-5-6-13)17-14(18(21)23)8-9-19-20-17/h4,7-9,11,13H,3,5-6,10H2,1-2H3
InChIKey
VOYHCKYXSZKDCB-UHFFFAOYSA-N
Compound name
11-cyclopropyl-8-methyl-6-propylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1637 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17098 184.7
[M+Na]+ 331.15292 195.4
[M-H]- 307.15642 189.3
[M+NH4]+ 326.19752 191.5
[M+K]+ 347.12686 191.7
[M+H-H2O]+ 291.16096 173.8
[M+HCOO]- 353.16190 199.4
[M+CH3COO]- 367.17755 193.4
[M+Na-2H]- 329.13837 187.9
[M]+ 308.16315 185.6
[M]- 308.16425 185.6
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.