CID 492286

N-6-methoxy-4-quinaldyl-sulphaphenazol

Structural Information

Molecular Formula
C25H21N5O3S
SMILES
COC1=CC2=C(C=CN=C2C=C1)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=NN4C5=CC=CC=C5
InChI
InChI=1S/C25H21N5O3S/c1-33-20-9-12-23-22(17-20)24(13-15-26-23)28-18-7-10-21(11-8-18)34(31,32)29-25-14-16-27-30(25)19-5-3-2-4-6-19/h2-17,29H,1H3,(H,26,28)
InChIKey
IKWCMVNKTCMVPP-UHFFFAOYSA-N
Compound name
4-[(6-methoxyquinolin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.1365 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.14378 209.4
[M+Na]+ 494.12572 218.4
[M-H]- 470.12922 220.2
[M+NH4]+ 489.17032 215.4
[M+K]+ 510.09966 210.6
[M+H-H2O]+ 454.13376 198.1
[M+HCOO]- 516.13470 226.8
[M+CH3COO]- 530.15035 217.9
[M+Na-2H]- 492.11117 215.8
[M]+ 471.13595 213.9
[M]- 471.13705 213.9
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.