CID 3033778

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

Structural Information

Molecular Formula
C21H15N5OS
SMILES
CC1=N/C(=C\N2C=CC3=CC=CC=C32)/C(=O)N1C4=NN=C(S4)C5=CC=CC=C5
InChI
InChI=1S/C21H15N5OS/c1-14-22-17(13-25-12-11-15-7-5-6-10-18(15)25)20(27)26(14)21-24-23-19(28-21)16-8-3-2-4-9-16/h2-13H,1H3/b17-13-
InChIKey
CGPCUIVIQXIQEK-LGMDPLHJSA-N
Compound name
(5Z)-5-(indol-1-ylmethylidene)-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

385.09973 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10701 188.3
[M+Na]+ 408.08895 204.6
[M+NH4]+ 403.13355 195.6
[M+K]+ 424.06289 199.8
[M-H]- 384.09245 193.9
[M+Na-2H]- 406.07440 197.4
[M]+ 385.09918 192.7
[M]- 385.10028 192.7
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.