CID 487377

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

Structural Information

Molecular Formula
C17H19ClN4O
SMILES
CCCN1C2=C(C=C(C=C2)C)N(C(=O)C3=CC(=NN=C31)Cl)CC
InChI
InChI=1S/C17H19ClN4O/c1-4-8-22-13-7-6-11(3)9-14(13)21(5-2)17(23)12-10-15(18)19-20-16(12)22/h6-7,9-10H,4-5,8H2,1-3H3
InChIKey
BMWCFDDTRTYBOJ-UHFFFAOYSA-N
Compound name
3-chloro-6-ethyl-8-methyl-11-propylpyridazino[3,4-b][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12473 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.132006 177.2
[M+Na]+ 353.113948 189.3
[M-H]- 329.117454 178.9
[M+NH4]+ 348.158553 189.2
[M+K]+ 369.087888 186.5
[M+H-H2O]+ 313.121990 166.7
[M+HCOO]- 375.122931 187.7
[M+CH3COO]- 389.138581 187.2
[M+Na-2H]- 351.099396 181.2
[M]+ 330.12418142 179.6
[M]- 330.12527858 179.6
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.