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 187.8
[M+Na]+ 392.10394 197.8
[M-H]- 368.10744 191.6
[M+NH4]+ 387.14854 199.9
[M+K]+ 408.07788 191.2
[M+H-H2O]+ 352.11198 179.7
[M+HCOO]- 414.11292 198.4
[M+CH3COO]- 428.12857 197.2
[M+Na-2H]- 390.08939 190.8
[M]+ 369.11417 191.6
[M]- 369.11527 191.6
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.