CID 11632684

Chembl373254

Structural Information

Molecular Formula
C19H18N4O4S
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C19H18N4O4S/c20-28(25,26)16-10-8-15(9-11-16)22-19(24)23-18-17(7-4-12-21-18)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,20,25,26)(H2,21,22,23,24)
InChIKey
YBZHDQYLQLICSJ-UHFFFAOYSA-N
Compound name
1-(3-phenylmethoxypyridin-2-yl)-3-(4-sulfamoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.1049 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.11218 189.4
[M+Na]+ 421.09412 194.7
[M-H]- 397.09762 197.1
[M+NH4]+ 416.13872 197.5
[M+K]+ 437.06806 189.3
[M+H-H2O]+ 381.10216 179.1
[M+HCOO]- 443.10310 208.1
[M+CH3COO]- 457.11875 222.7
[M+Na-2H]- 419.07957 195.0
[M]+ 398.10435 190.0
[M]- 398.10545 190.0
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.