CID 135403626

Nsc45572

Structural Information

Molecular Formula
C18H18N4O4S
SMILES
CC1=CC(=C(C=C1)N=NC2=C(C3=CC=CC=C3NC2=O)O)S(=O)(=O)N(C)C
InChI
InChI=1S/C18H18N4O4S/c1-11-8-9-14(15(10-11)27(25,26)22(2)3)20-21-16-17(23)12-6-4-5-7-13(12)19-18(16)24/h4-10H,1-3H3,(H2,19,23,24)
InChIKey
OUECECSFOVBXOS-UHFFFAOYSA-N
Compound name
2-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)diazenyl]-N,N,5-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

386.1049 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11218 187.6
[M+Na]+ 409.09412 196.2
[M-H]- 385.09762 195.8
[M+NH4]+ 404.13872 199.0
[M+K]+ 425.06806 191.9
[M+H-H2O]+ 369.10216 178.3
[M+HCOO]- 431.10310 206.9
[M+CH3COO]- 445.11875 228.0
[M+Na-2H]- 407.07957 193.5
[M]+ 386.10435 192.7
[M]- 386.10545 192.7
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

No patent data available for this compound.