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 203.1
[M+Na]+ 450.13589 216.2
[M-H]- 426.13939 212.8
[M+NH4]+ 445.18049 213.6
[M+K]+ 466.10983 207.7
[M+H-H2O]+ 410.14393 194.5
[M+HCOO]- 472.14487 218.5
[M+CH3COO]- 486.16052 213.2
[M+Na-2H]- 448.12134 197.4
[M]+ 427.14612 209.9
[M]- 427.14722 209.9
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.