CID 135612683

143658-85-9

Structural Information

Molecular Formula
C22H17N5OS
SMILES
CC1=NC(=C(N1C2=NN=C(S2)C)O)/C=C/3\C4=CC=CC=C4N=C3C5=CC=CC=C5
InChI
InChI=1S/C22H17N5OS/c1-13-23-19(21(28)27(13)22-26-25-14(2)29-22)12-17-16-10-6-7-11-18(16)24-20(17)15-8-4-3-5-9-15/h3-12,28H,1-2H3/b17-12+
InChIKey
VQTJNDTWDDUPEE-SFQUDFHCSA-N
Compound name
2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]imidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1154 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12268 193.4
[M+Na]+ 422.10462 210.1
[M+NH4]+ 417.14922 200.5
[M+K]+ 438.07856 205.5
[M-H]- 398.10812 199.1
[M+Na-2H]- 420.09007 202.3
[M]+ 399.11485 198.0
[M]- 399.11595 198.0
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.