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 191.6
[M+Na]+ 408.08895 205.1
[M-H]- 384.09245 202.2
[M+NH4]+ 403.13355 204.0
[M+K]+ 424.06289 197.6
[M+H-H2O]+ 368.09699 182.8
[M+HCOO]- 430.09793 208.2
[M+CH3COO]- 444.11358 202.8
[M+Na-2H]- 406.07440 187.1
[M]+ 385.09918 196.8
[M]- 385.10028 196.8
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.