CID 9861761

Schembl6814797

Structural Information

Molecular Formula
C15H15N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)O)O
InChI
InChI=1S/C15H15N3O3S/c1-9(19)16-10-2-4-11(5-3-10)17-15(22)18-13-7-6-12(20)8-14(13)21/h2-8,20-21H,1H3,(H,16,19)(H2,17,18,22)
InChIKey
CEDSRSBAWVUZEN-UHFFFAOYSA-N
Compound name
N-[4-[(2,4-dihydroxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

317.0834 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09068 170.6
[M+Na]+ 340.07262 175.7
[M-H]- 316.07612 174.7
[M+NH4]+ 335.11722 183.0
[M+K]+ 356.04656 170.4
[M+H-H2O]+ 300.08066 162.7
[M+HCOO]- 362.08160 188.1
[M+CH3COO]- 376.09725 207.5
[M+Na-2H]- 338.05807 172.0
[M]+ 317.08285 168.9
[M]- 317.08395 168.9
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

No patent data available for this compound.