CID 487381

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

Structural Information

Molecular Formula
C18H19ClN4O
SMILES
CCCCN1C2=CC=CC=C2N(C3=NN=C(C=C3C1=O)Cl)C4CC4
InChI
InChI=1S/C18H19ClN4O/c1-2-3-10-22-14-6-4-5-7-15(14)23(12-8-9-12)17-13(18(22)24)11-16(19)20-21-17/h4-7,11-12H,2-3,8-10H2,1H3
InChIKey
UFRXPZPQUFYQIF-UHFFFAOYSA-N
Compound name
6-butyl-3-chloro-11-cyclopropylpyridazino[3,4-b][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12473 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13201 187.6
[M+Na]+ 365.11395 199.2
[M-H]- 341.11745 191.5
[M+NH4]+ 360.15855 194.0
[M+K]+ 381.08789 194.7
[M+H-H2O]+ 325.12199 176.2
[M+HCOO]- 387.12293 198.1
[M+CH3COO]- 401.13858 196.0
[M+Na-2H]- 363.09940 190.6
[M]+ 342.12418 190.1
[M]- 342.12528 190.1
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.