CID 6447762

100037-25-0

Structural Information

Molecular Formula
C20H16N4O2S
SMILES
CC1=N/C(=C\C2=CC=CC=C2OC)/C(=O)N1C3=NN=C(S3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N4O2S/c1-13-21-16(12-15-10-6-7-11-17(15)26-2)19(25)24(13)20-23-22-18(27-20)14-8-4-3-5-9-14/h3-12H,1-2H3/b16-12-
InChIKey
RTXLJRVCPBCXOD-VBKFSLOCSA-N
Compound name
(5Z)-5-[(2-methoxyphenyl)methylidene]-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

376.0994 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10668 188.7
[M+Na]+ 399.08862 204.1
[M+NH4]+ 394.13322 195.4
[M+K]+ 415.06256 197.9
[M-H]- 375.09212 194.1
[M+Na-2H]- 397.07407 197.6
[M]+ 376.09885 192.9
[M]- 376.09995 192.9
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.