CID 375274

Nsc654791

Structural Information

Molecular Formula
C19H18N4O4S
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)OC
InChI
InChI=1S/C19H18N4O4S/c1-12(24)20-14-8-6-13(7-9-14)18-22-23-19(27-18)28-11-17(25)21-15-4-3-5-16(10-15)26-2/h3-10H,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKey
XXAPLSBTEZZRIL-UHFFFAOYSA-N
Compound name
2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1049 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.11218 193.0
[M+Na]+ 421.09412 199.6
[M-H]- 397.09762 201.6
[M+NH4]+ 416.13872 201.4
[M+K]+ 437.06806 196.1
[M+H-H2O]+ 381.10216 183.2
[M+HCOO]- 443.10310 210.7
[M+CH3COO]- 457.11875 222.6
[M+Na-2H]- 419.07957 193.7
[M]+ 398.10435 198.5
[M]- 398.10545 198.5
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

No patent data available for this compound.