CID 6435578

4-benzylidene-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one

Structural Information

Molecular Formula
C19H14N4OS
SMILES
CC1=N/C(=C\C2=CC=CC=C2)/C(=O)N1C3=NN=C(S3)C4=CC=CC=C4
InChI
InChI=1S/C19H14N4OS/c1-13-20-16(12-14-8-4-2-5-9-14)18(24)23(13)19-22-21-17(25-19)15-10-6-3-7-11-15/h2-12H,1H3/b16-12-
InChIKey
IDMWJMQVALFNFX-VBKFSLOCSA-N
Compound name
(5Z)-5-benzylidene-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

346.08884 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09612 181.8
[M+Na]+ 369.07806 193.1
[M-H]- 345.08156 191.2
[M+NH4]+ 364.12266 193.9
[M+K]+ 385.05200 185.7
[M+H-H2O]+ 329.08610 172.0
[M+HCOO]- 391.08704 198.2
[M+CH3COO]- 405.10269 192.8
[M+Na-2H]- 367.06351 178.8
[M]+ 346.08829 183.9
[M]- 346.08939 183.9
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.