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]+ 377.106676 189.5
[M+Na]+ 399.088618 200.8
[M-H]- 375.092124 199.2
[M+NH4]+ 394.133223 200.6
[M+K]+ 415.062558 193.9
[M+H-H2O]+ 359.096660 179.8
[M+HCOO]- 421.097601 205.7
[M+CH3COO]- 435.113251 200.2
[M+Na-2H]- 397.074066 185.6
[M]+ 376.09885142 193.6
[M]- 376.09994858 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.