CID 6447761

3,5-dihydro-5-ethylidene-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-4h-imidazol-4-one

Structural Information

Molecular Formula
C14H12N4OS
SMILES
C/C=C\1/C(=O)N(C(=N1)C)C2=NN=C(S2)C3=CC=CC=C3
InChI
InChI=1S/C14H12N4OS/c1-3-11-13(19)18(9(2)15-11)14-17-16-12(20-14)10-7-5-4-6-8-10/h3-8H,1-2H3/b11-3-
InChIKey
SYATUHQQVOCNQE-JYOAFUTRSA-N
Compound name
(5Z)-5-ethylidene-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07318 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08046 165.8
[M+Na]+ 307.06240 179.5
[M+NH4]+ 302.10700 172.9
[M+K]+ 323.03634 174.3
[M-H]- 283.06590 168.9
[M+Na-2H]- 305.04785 172.6
[M]+ 284.07263 169.0
[M]- 284.07373 169.0
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.