CID 9820766

181468-88-2

Structural Information

Molecular Formula
C18H17N3O4S
SMILES
CC(C)C1=CC=CC=C1S(=O)(=O)C2=C(C3=C(C(=C2)N)N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H17N3O4S/c1-11(2)12-6-3-4-8-15(12)26(24,25)16-10-14(19)17-13(7-5-9-20-17)18(16)21(22)23/h3-11H,19H2,1-2H3
InChIKey
YUVNGBZROXQYQH-UHFFFAOYSA-N
Compound name
5-nitro-6-(2-propan-2-ylphenyl)sulfonylquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

371.09396 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10124 181.9
[M+Na]+ 394.08318 188.4
[M-H]- 370.08668 187.9
[M+NH4]+ 389.12778 192.4
[M+K]+ 410.05712 179.2
[M+H-H2O]+ 354.09122 177.7
[M+HCOO]- 416.09216 197.4
[M+CH3COO]- 430.10781 211.9
[M+Na-2H]- 392.06863 188.0
[M]+ 371.09341 182.0
[M]- 371.09451 182.0
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