CID 15954910

Schembl6812047

Structural Information

Molecular Formula
C18H20ClN3O4S
SMILES
CC(=O)NC1=CC(=C(C=C1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)OC
InChI
InChI=1S/C18H20ClN3O4S/c1-10(23)20-11-5-6-13(16(7-11)25-3)21-18(27)22-14-8-12(19)15(24-2)9-17(14)26-4/h5-9H,1-4H3,(H,20,23)(H2,21,22,27)
InChIKey
HLXXTOKIFLNACQ-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-3-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

409.0863 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.09358 193.6
[M+Na]+ 432.07552 200.2
[M-H]- 408.07902 200.7
[M+NH4]+ 427.12012 205.1
[M+K]+ 448.04946 195.4
[M+H-H2O]+ 392.08356 185.9
[M+HCOO]- 454.08450 208.9
[M+CH3COO]- 468.10015 229.1
[M+Na-2H]- 430.06097 192.8
[M]+ 409.08575 201.0
[M]- 409.08685 201.0
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