CID 15954869

Schembl6811046

Structural Information

Molecular Formula
C17H18ClN3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OCCO)Cl
InChI
InChI=1S/C17H18ClN3O3S/c1-11(23)19-12-2-4-13(5-3-12)20-17(25)21-14-6-7-16(15(18)10-14)24-9-8-22/h2-7,10,22H,8-9H2,1H3,(H,19,23)(H2,20,21,25)
InChIKey
YMPQJZQHRJYQKQ-UHFFFAOYSA-N
Compound name
N-[4-[[3-chloro-4-(2-hydroxyethoxy)phenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

379.07574 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08302 185.2
[M+Na]+ 402.06496 190.5
[M-H]- 378.06846 190.4
[M+NH4]+ 397.10956 196.8
[M+K]+ 418.03890 184.1
[M+H-H2O]+ 362.07300 177.9
[M+HCOO]- 424.07394 199.3
[M+CH3COO]- 438.08959 219.1
[M+Na-2H]- 400.05041 185.8
[M]+ 379.07519 188.3
[M]- 379.07629 188.3
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