CID 15957496

(3-chlorophenyl)-[5-methyl-2-[(2-thioxo-3h-1,3,4-oxadiazol-5-yl)methoxy]phenyl]methanone

Structural Information

Molecular Formula
C17H13ClN2O3S
SMILES
CC1=CC(=C(C=C1)OCC2=NNC(=S)O2)C(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H13ClN2O3S/c1-10-5-6-14(22-9-15-19-20-17(24)23-15)13(7-10)16(21)11-3-2-4-12(18)8-11/h2-8H,9H2,1H3,(H,20,24)
InChIKey
INRSWYGFSRPFFP-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)-[5-methyl-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.03354 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.04082 180.4
[M+Na]+ 383.02276 191.4
[M-H]- 359.02626 188.2
[M+NH4]+ 378.06736 191.8
[M+K]+ 398.99670 185.1
[M+H-H2O]+ 343.03080 172.7
[M+HCOO]- 405.03174 191.4
[M+CH3COO]- 419.04739 191.5
[M+Na-2H]- 381.00821 179.4
[M]+ 360.03299 186.7
[M]- 360.03409 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.