CID 9799140

Schembl6814872

Structural Information

Molecular Formula
C17H18ClN3O2S
SMILES
CC1=CC(=C(C=C1Cl)NC(=S)NC2=CC=C(C=C2)NC(=O)C)OC
InChI
InChI=1S/C17H18ClN3O2S/c1-10-8-16(23-3)15(9-14(10)18)21-17(24)20-13-6-4-12(5-7-13)19-11(2)22/h4-9H,1-3H3,(H,19,22)(H2,20,21,24)
InChIKey
UGBAQLAOKVDTPH-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloro-2-methoxy-4-methylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

363.0808 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.08808 183.8
[M+Na]+ 386.07002 190.7
[M-H]- 362.07352 190.7
[M+NH4]+ 381.11462 197.2
[M+K]+ 402.04396 184.4
[M+H-H2O]+ 346.07806 176.5
[M+HCOO]- 408.07900 199.0
[M+CH3COO]- 422.09465 220.4
[M+Na-2H]- 384.05547 183.6
[M]+ 363.08025 187.7
[M]- 363.08135 187.7
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