CID 473564

1-(3,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea

Structural Information

Molecular Formula
C15H11Cl2N3O2S
SMILES
COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H11Cl2N3O2S/c1-22-9-3-5-12-13(7-9)23-15(19-12)20-14(21)18-8-2-4-10(16)11(17)6-8/h2-7H,1H3,(H2,18,19,20,21)
InChIKey
OJEKQVGVBCXFRC-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

366.9949 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.00218 178.5
[M+Na]+ 389.98412 190.1
[M-H]- 365.98762 185.7
[M+NH4]+ 385.02872 194.5
[M+K]+ 405.95806 183.1
[M+H-H2O]+ 349.99216 172.7
[M+HCOO]- 411.99310 190.2
[M+CH3COO]- 426.00875 190.1
[M+Na-2H]- 387.96957 181.1
[M]+ 366.99435 187.0
[M]- 366.99545 187.0
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

patents stripe