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 165.2
[M+Na]+ 307.06240 177.4
[M-H]- 283.06590 171.7
[M+NH4]+ 302.10700 180.5
[M+K]+ 323.03634 171.8
[M+H-H2O]+ 267.07044 156.8
[M+HCOO]- 329.07138 181.9
[M+CH3COO]- 343.08703 177.5
[M+Na-2H]- 305.04785 162.5
[M]+ 284.07263 168.2
[M]- 284.07373 168.2
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.