CID 15954920

Schembl6815470

Structural Information

Molecular Formula
C18H20ClN3O3S
SMILES
CCOC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl)OC
InChI
InChI=1S/C18H20ClN3O3S/c1-4-25-17-10-16(24-3)14(19)9-15(17)22-18(26)21-13-7-5-12(6-8-13)20-11(2)23/h5-10H,4H2,1-3H3,(H,20,23)(H2,21,22,26)
InChIKey
RFYQGXPCYZQWHL-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloro-2-ethoxy-4-methoxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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 190.7
[M+Na]+ 416.08062 196.9
[M-H]- 392.08412 197.5
[M+NH4]+ 411.12522 202.8
[M+K]+ 432.05456 191.2
[M+H-H2O]+ 376.08866 183.0
[M+HCOO]- 438.08960 205.8
[M+CH3COO]- 452.10525 225.5
[M+Na-2H]- 414.06607 190.4
[M]+ 393.09085 196.4
[M]- 393.09195 196.4
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