CID 13573252

Brn 5619406

Structural Information

Molecular Formula
C18H17N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C4=C2C=CC(=C4)OC)NN=C3
InChI
InChI=1S/C18H17N3O3S/c1-12-3-6-15(7-4-12)25(22,23)21-11-13-10-19-20-18(13)16-9-14(24-2)5-8-17(16)21/h3-10H,11H2,1-2H3,(H,19,20)
InChIKey
TVXFNSMKUMBFGL-UHFFFAOYSA-N
Compound name
8-methoxy-5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

355.09906 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10634 181.5
[M+Na]+ 378.08828 195.6
[M+NH4]+ 373.13288 188.6
[M+K]+ 394.06222 188.8
[M-H]- 354.09178 183.6
[M+Na-2H]- 376.07373 187.2
[M]+ 355.09851 184.6
[M]- 355.09961 184.6
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

patents stripe