CID 15954838

Schembl6817059

Structural Information

Molecular Formula
C18H21N3O4S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H21N3O4S/c1-11(22)19-12-5-7-13(8-6-12)20-18(26)21-14-9-15(23-2)17(25-4)16(10-14)24-3/h5-10H,1-4H3,(H,19,22)(H2,20,21,26)
InChIKey
UTFZNELXHKXLDB-UHFFFAOYSA-N
Compound name
N-[4-[(3,4,5-trimethoxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

375.12527 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13255 187.5
[M+Na]+ 398.11449 192.6
[M-H]- 374.11799 194.1
[M+NH4]+ 393.15909 199.1
[M+K]+ 414.08843 189.1
[M+H-H2O]+ 358.12253 178.3
[M+HCOO]- 420.12347 207.1
[M+CH3COO]- 434.13912 224.3
[M+Na-2H]- 396.09994 187.7
[M]+ 375.12472 192.1
[M]- 375.12582 192.1
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