CID 9928150

Schembl6816207

Structural Information

Molecular Formula
C17H19N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C17H19N3O3S/c1-11(21)18-12-4-6-13(7-5-12)19-17(24)20-15-9-8-14(22-2)10-16(15)23-3/h4-10H,1-3H3,(H,18,21)(H2,19,20,24)
InChIKey
KOTCUYOPZWWQLD-UHFFFAOYSA-N
Compound name
N-[4-[(2,4-dimethoxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

345.11472 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12200 180.0
[M+Na]+ 368.10394 185.1
[M-H]- 344.10744 186.5
[M+NH4]+ 363.14854 192.7
[M+K]+ 384.07788 181.0
[M+H-H2O]+ 328.11198 171.1
[M+HCOO]- 390.11292 199.8
[M+CH3COO]- 404.12857 217.8
[M+Na-2H]- 366.08939 181.2
[M]+ 345.11417 182.5
[M]- 345.11527 182.5
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