CID 135612685

143658-87-1

Structural Information

Molecular Formula
C23H19N5OS
SMILES
CCC1=NN=C(S1)N2C(=NC(=C2O)/C=C/3\C4=CC=CC=C4N=C3C5=CC=CC=C5)C
InChI
InChI=1S/C23H19N5OS/c1-3-20-26-27-23(30-20)28-14(2)24-19(22(28)29)13-17-16-11-7-8-12-18(16)25-21(17)15-9-5-4-6-10-15/h4-13,29H,3H2,1-2H3/b17-13+
InChIKey
FIZMAVBTRVMLHE-GHRIWEEISA-N
Compound name
3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-[(E)-(2-phenylindol-3-ylidene)methyl]imidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.13104 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.13832 197.6
[M+Na]+ 436.12026 214.1
[M+NH4]+ 431.16486 204.6
[M+K]+ 452.09420 209.3
[M-H]- 412.12376 203.3
[M+Na-2H]- 434.10571 206.3
[M]+ 413.13049 202.2
[M]- 413.13159 202.2
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.