CID 6481928

2-phenoxy-n-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

Structural Information

Molecular Formula
C13H11N3O2S2
SMILES
C#CCSC1=NN=C(S1)NC(=O)COC2=CC=CC=C2
InChI
InChI=1S/C13H11N3O2S2/c1-2-8-19-13-16-15-12(20-13)14-11(17)9-18-10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,14,15,17)
InChIKey
XZYIRRXENBGVIV-UHFFFAOYSA-N
Compound name
2-phenoxy-N-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.02927 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.03655 172.4
[M+Na]+ 328.01849 182.8
[M-H]- 304.02199 174.9
[M+NH4]+ 323.06309 185.2
[M+K]+ 343.99243 177.2
[M+H-H2O]+ 288.02653 158.5
[M+HCOO]- 350.02747 180.1
[M+CH3COO]- 364.04312 206.2
[M+Na-2H]- 326.00394 171.1
[M]+ 305.02872 170.7
[M]- 305.02982 170.7
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.