CID 487397

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

Structural Information

Molecular Formula
C18H20N4O
SMILES
CCCCN1C2=CC=CC=C2N(C3=C(C1=O)C=CN=N3)C4CC4
InChI
InChI=1S/C18H20N4O/c1-2-3-12-21-15-6-4-5-7-16(15)22(13-8-9-13)17-14(18(21)23)10-11-19-20-17/h4-7,10-11,13H,2-3,8-9,12H2,1H3
InChIKey
HFWRJQPIIFUQIC-UHFFFAOYSA-N
Compound name
6-butyl-11-cyclopropylpyridazino[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 183.9
[M+Na]+ 331.15292 193.8
[M-H]- 307.15642 188.2
[M+NH4]+ 326.19752 190.5
[M+K]+ 347.12686 190.2
[M+H-H2O]+ 291.16096 172.9
[M+HCOO]- 353.16190 198.7
[M+CH3COO]- 367.17755 192.4
[M+Na-2H]- 329.13837 187.9
[M]+ 308.16315 184.4
[M]- 308.16425 184.4
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.