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 189.5
[M+Na]+ 399.08862 200.8
[M-H]- 375.09212 199.2
[M+NH4]+ 394.13322 200.6
[M+K]+ 415.06256 193.9
[M+H-H2O]+ 359.09666 179.8
[M+HCOO]- 421.09760 205.7
[M+CH3COO]- 435.11325 200.2
[M+Na-2H]- 397.07407 185.6
[M]+ 376.09885 193.6
[M]- 376.09995 193.6
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.