CID 86573708

Manganous 5-[(4-sulfamoylanilino)methyl]quinolin-8-olate

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)CNC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C16H15N3O3S/c17-23(21,22)13-6-4-12(5-7-13)19-10-11-3-8-15(20)16-14(11)2-1-9-18-16/h1-9,19-20H,10H2,(H2,17,21,22)
InChIKey
VYVQKGPMDCVEEJ-UHFFFAOYSA-N
Compound name
4-[(8-hydroxyquinolin-5-yl)methylamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

329.0834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09068 171.9
[M+Na]+ 352.07262 180.2
[M-H]- 328.07612 176.6
[M+NH4]+ 347.11722 184.3
[M+K]+ 368.04656 173.9
[M+H-H2O]+ 312.08066 163.8
[M+HCOO]- 374.08160 188.2
[M+CH3COO]- 388.09725 208.1
[M+Na-2H]- 350.05807 178.6
[M]+ 329.08285 172.5
[M]- 329.08395 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe