CID 50564

69463-94-1

Structural Information

Molecular Formula
C15H17N5O2S
SMILES
CC1=NN=C(S1)N(CC(=O)C2=CC=C(C=C2)OC)C3=NCCN3
InChI
InChI=1S/C15H17N5O2S/c1-10-18-19-15(23-10)20(14-16-7-8-17-14)9-13(21)11-3-5-12(22-2)6-4-11/h3-6H,7-9H2,1-2H3,(H,16,17)
InChIKey
CHAPNFPRVQTHGW-UHFFFAOYSA-N
Compound name
2-[4,5-dihydro-1H-imidazol-2-yl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1103 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11758 173.5
[M+Na]+ 354.09952 183.8
[M+NH4]+ 349.14412 179.4
[M+K]+ 370.07346 180.9
[M-H]- 330.10302 176.1
[M+Na-2H]- 352.08497 179.9
[M]+ 331.10975 175.8
[M]- 331.11085 175.8
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.