CID 631767

Ziiuvahwczurfl-uhfffaoysa-n

Structural Information

Molecular Formula
C17H12N4OS2
SMILES
C1=CC=C(C=C1)C2=C(SC(=N2)N)SC3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C17H12N4OS2/c18-16-19-13(11-7-3-1-4-8-11)15(23-16)24-17-21-20-14(22-17)12-9-5-2-6-10-12/h1-10H,(H2,18,19)
InChIKey
ZIIUVAHWCZURFL-UHFFFAOYSA-N
Compound name
4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.04526 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05254 175.2
[M+Na]+ 375.03448 188.7
[M-H]- 351.03798 186.7
[M+NH4]+ 370.07908 187.7
[M+K]+ 391.00842 182.0
[M+H-H2O]+ 335.04252 168.2
[M+HCOO]- 397.04346 191.1
[M+CH3COO]- 411.05911 187.6
[M+Na-2H]- 373.01993 175.1
[M]+ 352.04471 180.2
[M]- 352.04581 180.2
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.