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 195.1
[M+Na]+ 422.10462 209.3
[M-H]- 398.10812 205.2
[M+NH4]+ 417.14922 206.8
[M+K]+ 438.07856 201.1
[M+H-H2O]+ 382.11266 187.0
[M+HCOO]- 444.11360 211.2
[M+CH3COO]- 458.12925 206.1
[M+Na-2H]- 420.09007 190.4
[M]+ 399.11485 201.4
[M]- 399.11595 201.4
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.