CID 15954835

Schembl6814424

Structural Information

Molecular Formula
C15H14ClN3O2S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C15H14ClN3O2S/c1-9(20)17-11-3-5-12(6-4-11)18-15(22)19-13-8-10(16)2-7-14(13)21/h2-8,21H,1H3,(H,17,20)(H2,18,19,22)
InChIKey
AVXMQRHKZSQDFG-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloro-2-hydroxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

335.04953 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05681 174.2
[M+Na]+ 358.03875 180.7
[M-H]- 334.04225 179.8
[M+NH4]+ 353.08335 187.7
[M+K]+ 374.01269 174.0
[M+H-H2O]+ 318.04679 167.5
[M+HCOO]- 380.04773 188.7
[M+CH3COO]- 394.06338 211.0
[M+Na-2H]- 356.02420 175.4
[M]+ 335.04898 175.2
[M]- 335.05008 175.2
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