CID 15954896

Schembl6814339

Structural Information

Molecular Formula
C18H19Cl2N3O3S
SMILES
CC1=CC(=C(C=C1NC(=O)C)Cl)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl
InChI
InChI=1S/C18H19Cl2N3O3S/c1-9-5-14(11(19)6-13(9)21-10(2)24)22-18(27)23-15-7-12(20)16(25-3)8-17(15)26-4/h5-8H,1-4H3,(H,21,24)(H2,22,23,27)
InChIKey
QEUZZGGWDYJHQM-UHFFFAOYSA-N
Compound name
N-[5-chloro-4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

427.05243 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.05971 196.4
[M+Na]+ 450.04165 204.3
[M-H]- 426.04515 203.3
[M+NH4]+ 445.08625 208.2
[M+K]+ 466.01559 197.9
[M+H-H2O]+ 410.04969 190.3
[M+HCOO]- 472.05063 206.5
[M+CH3COO]- 486.06628 231.9
[M+Na-2H]- 448.02710 194.1
[M]+ 427.05188 204.2
[M]- 427.05298 204.2
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