CID 135612686

143658-88-2

Structural Information

Molecular Formula
C23H18ClN5OS
SMILES
CC1=NC(=C(N1C2=NN=C(S2)CCCl)O)/C=C/3\C4=CC=CC=C4N=C3C5=CC=CC=C5
InChI
InChI=1S/C23H18ClN5OS/c1-14-25-19(22(30)29(14)23-28-27-20(31-23)11-12-24)13-17-16-9-5-6-10-18(16)26-21(17)15-7-3-2-4-8-15/h2-10,13,30H,11-12H2,1H3/b17-13+
InChIKey
RIXARWOHVMMZEU-GHRIWEEISA-N
Compound name
3-[5-(2-chloroethyl)-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

447.09207 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.09935 204.4
[M+Na]+ 470.08129 221.7
[M+NH4]+ 465.12589 211.6
[M+K]+ 486.05523 215.8
[M-H]- 446.08479 210.1
[M+Na-2H]- 468.06674 213.0
[M]+ 447.09152 209.4
[M]- 447.09262 209.4
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.