CID 135612687

143658-89-3

Structural Information

Molecular Formula
C24H21N5OS
SMILES
CCCC1=NN=C(S1)N2C(=NC(=C2O)/C=C/3\C4=CC=CC=C4N=C3C5=CC=CC=C5)C
InChI
InChI=1S/C24H21N5OS/c1-3-9-21-27-28-24(31-21)29-15(2)25-20(23(29)30)14-18-17-12-7-8-13-19(17)26-22(18)16-10-5-4-6-11-16/h4-8,10-14,30H,3,9H2,1-2H3/b18-14+
InChIKey
JKKNTLMVRRCHLZ-NBVRZTHBSA-N
Compound name
2-methyl-5-[(E)-(2-phenylindol-3-ylidene)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.14667 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.15395 201.8
[M+Na]+ 450.13589 218.1
[M+NH4]+ 445.18049 208.6
[M+K]+ 466.10983 213.1
[M-H]- 426.13939 207.5
[M+Na-2H]- 448.12134 210.2
[M]+ 427.14612 206.3
[M]- 427.14722 206.3
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.