CID 375271

Nsc654788

Structural Information

Molecular Formula
C19H18N4O3S
SMILES
CC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C19H18N4O3S/c1-12-5-3-4-6-16(12)21-17(25)11-27-19-23-22-18(26-19)14-7-9-15(10-8-14)20-13(2)24/h3-10H,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKey
AWMUBGWJMIIPNL-UHFFFAOYSA-N
Compound name
2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.10995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.11723 190.5
[M+Na]+ 405.09917 197.4
[M-H]- 381.10267 199.1
[M+NH4]+ 400.14377 199.8
[M+K]+ 421.07311 193.2
[M+H-H2O]+ 365.10721 180.9
[M+HCOO]- 427.10815 208.0
[M+CH3COO]- 441.12380 220.4
[M+Na-2H]- 403.08462 190.9
[M]+ 382.10940 194.7
[M]- 382.11050 194.7
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.