CID 135612684

143658-86-0

Structural Information

Molecular Formula
C22H16ClN5OS
SMILES
CC1=NC(=C(N1C2=NN=C(S2)CCl)O)/C=C/3\C4=CC=CC=C4N=C3C5=CC=CC=C5
InChI
InChI=1S/C22H16ClN5OS/c1-13-24-18(21(29)28(13)22-27-26-19(12-23)30-22)11-16-15-9-5-6-10-17(15)25-20(16)14-7-3-2-4-8-14/h2-11,29H,12H2,1H3/b16-11+
InChIKey
JVKNGZPZFATYCR-LFIBNONCSA-N
Compound name
3-[5-(chloromethyl)-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

433.07642 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.08370 202.7
[M+Na]+ 456.06564 217.2
[M-H]- 432.06914 212.3
[M+NH4]+ 451.11024 213.8
[M+K]+ 472.03958 208.2
[M+H-H2O]+ 416.07368 194.0
[M+HCOO]- 478.07462 213.9
[M+CH3COO]- 492.09027 213.0
[M+Na-2H]- 454.05109 197.2
[M]+ 433.07587 210.7
[M]- 433.07697 210.7
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.