CID 13573250

Brn 5619905

Structural Information

Molecular Formula
C19H19N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CN(N=C3C4=CC=CC=C42)CCO
InChI
InChI=1S/C19H19N3O3S/c1-14-6-8-16(9-7-14)26(24,25)22-13-15-12-21(10-11-23)20-19(15)17-4-2-3-5-18(17)22/h2-9,12,23H,10-11,13H2,1H3
InChIKey
GBTBVBCXEBEUDB-UHFFFAOYSA-N
Compound name
2-[5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,3-c]quinolin-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.11472 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12200 185.8
[M+Na]+ 392.10394 199.7
[M+NH4]+ 387.14854 192.8
[M+K]+ 408.07788 192.7
[M-H]- 368.10744 187.9
[M+Na-2H]- 390.08939 191.3
[M]+ 369.11417 188.9
[M]- 369.11527 188.9
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.