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 183.5
[M+Na]+ 378.08828 194.0
[M-H]- 354.09178 187.5
[M+NH4]+ 373.13288 196.3
[M+K]+ 394.06222 187.6
[M+H-H2O]+ 338.09632 175.7
[M+HCOO]- 400.09726 194.5
[M+CH3COO]- 414.11291 193.4
[M+Na-2H]- 376.07373 187.0
[M]+ 355.09851 187.0
[M]- 355.09961 187.0
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