CID 15954879

Schembl6819288

Structural Information

Molecular Formula
C19H22ClN3O4S
SMILES
CC1=CC(=C(C=C1NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)OC)NC(=O)C
InChI
InChI=1S/C19H22ClN3O4S/c1-10-6-14(21-11(2)24)17(26-4)8-13(10)22-19(28)23-15-7-12(20)16(25-3)9-18(15)27-5/h6-9H,1-5H3,(H,21,24)(H2,22,23,28)
InChIKey
ZSOGDHCRZKRAAB-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-methoxy-5-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

423.10196 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.10924 198.2
[M+Na]+ 446.09118 205.2
[M-H]- 422.09468 205.5
[M+NH4]+ 441.13578 209.4
[M+K]+ 462.06512 200.3
[M+H-H2O]+ 406.09922 190.5
[M+HCOO]- 468.10016 213.1
[M+CH3COO]- 482.11581 233.4
[M+Na-2H]- 444.07663 196.3
[M]+ 423.10141 206.4
[M]- 423.10251 206.4
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

patents stripe