CID 15954887

Schembl6816016

Structural Information

Molecular Formula
C18H20ClN3O3S
SMILES
CC1=C(C=CC(=C1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)NC(=O)C
InChI
InChI=1S/C18H20ClN3O3S/c1-10-7-12(5-6-14(10)20-11(2)23)21-18(26)22-15-8-13(19)16(24-3)9-17(15)25-4/h5-9H,1-4H3,(H,20,23)(H2,21,22,26)
InChIKey
GFBPVDJAUSCCJH-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

393.0914 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.09868 191.1
[M+Na]+ 416.08062 198.1
[M-H]- 392.08412 198.2
[M+NH4]+ 411.12522 203.4
[M+K]+ 432.05456 192.5
[M+H-H2O]+ 376.08866 183.6
[M+HCOO]- 438.08960 206.2
[M+CH3COO]- 452.10525 226.9
[M+Na-2H]- 414.06607 190.0
[M]+ 393.09085 197.2
[M]- 393.09195 197.2
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