CID 5273074

2-(4-bromophenyl)-8-methyl-5h-pyrazolo[4,3-c]quinolin-3-one

Structural Information

Molecular Formula
C17H12BrN3O
SMILES
CC1=CC2=C3C(=CN=C2C=C1)C(=O)N(N3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C17H12BrN3O/c1-10-2-7-15-13(8-10)16-14(9-19-15)17(22)21(20-16)12-5-3-11(18)4-6-12/h2-9,20H,1H3
InChIKey
NSMQGCUBEZRVLJ-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.01636 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.02364 174.3
[M+Na]+ 376.00558 189.6
[M-H]- 352.00908 181.7
[M+NH4]+ 371.05018 190.8
[M+K]+ 391.97952 175.5
[M+H-H2O]+ 336.01362 172.5
[M+HCOO]- 398.01456 191.9
[M+CH3COO]- 412.03021 187.8
[M+Na-2H]- 373.99103 181.1
[M]+ 353.01581 194.9
[M]- 353.01691 194.9
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.