CID 4180160

5-chloro-n-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide

Structural Information

Molecular Formula
C17H15ClN2O4S
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)NC2=NC3=CC(=C(C=C3S2)OC)OC
InChI
InChI=1S/C17H15ClN2O4S/c1-22-12-5-4-9(18)6-10(12)16(21)20-17-19-11-7-13(23-2)14(24-3)8-15(11)25-17/h4-8H,1-3H3,(H,19,20,21)
InChIKey
WGDLILGLKGJJQD-UHFFFAOYSA-N
Compound name
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.0441 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.05138 183.7
[M+Na]+ 401.03332 195.1
[M-H]- 377.03682 191.7
[M+NH4]+ 396.07792 199.0
[M+K]+ 417.00726 190.1
[M+H-H2O]+ 361.04136 176.9
[M+HCOO]- 423.04230 199.1
[M+CH3COO]- 437.05795 216.6
[M+Na-2H]- 399.01877 185.0
[M]+ 378.04355 195.5
[M]- 378.04465 195.5
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.