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 199.1
[M+Na]+ 436.12026 212.7
[M-H]- 412.12376 209.0
[M+NH4]+ 431.16486 210.3
[M+K]+ 452.09420 204.4
[M+H-H2O]+ 396.12830 190.8
[M+HCOO]- 458.12924 214.9
[M+CH3COO]- 472.14489 209.7
[M+Na-2H]- 434.10571 193.9
[M]+ 413.13049 205.7
[M]- 413.13159 205.7
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.