CID 3522337

1-(3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl)-3-(4-chlorophenyl)urea

Structural Information

Molecular Formula
C20H14ClN3O2S
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=O)NC4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C20H14ClN3O2S/c21-12-5-7-13(8-6-12)22-20(26)23-14-9-10-17(25)15(11-14)19-24-16-3-1-2-4-18(16)27-19/h1-11,25H,(H2,22,23,26)
InChIKey
AZXVSUNTLIKEHZ-UHFFFAOYSA-N
Compound name
1-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-(4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.04953 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.05681 189.4
[M+Na]+ 418.03875 205.1
[M+NH4]+ 413.08335 198.0
[M+K]+ 434.01269 195.9
[M-H]- 394.04225 196.7
[M+Na-2H]- 416.02420 199.6
[M]+ 395.04898 194.6
[M]- 395.05008 194.6
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.