CID 135612682

143658-84-8

Structural Information

Molecular Formula
C21H15N5OS
SMILES
CC1=NC(=C(N1C2=NN=CS2)O)/C=C/3\C4=CC=CC=C4N=C3C5=CC=CC=C5
InChI
InChI=1S/C21H15N5OS/c1-13-23-18(20(27)26(13)21-25-22-12-28-21)11-16-15-9-5-6-10-17(15)24-19(16)14-7-3-2-4-8-14/h2-12,27H,1H3/b16-11+
InChIKey
NJQFSCXESWNHDR-LFIBNONCSA-N
Compound name
2-methyl-5-[(E)-(2-phenylindol-3-ylidene)methyl]-3-(1,3,4-thiadiazol-2-yl)imidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.09973 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10701 189.9
[M+Na]+ 408.08895 203.7
[M-H]- 384.09245 199.7
[M+NH4]+ 403.13355 201.9
[M+K]+ 424.06289 195.8
[M+H-H2O]+ 368.09699 181.6
[M+HCOO]- 430.09793 206.4
[M+CH3COO]- 444.11358 201.0
[M+Na-2H]- 406.07440 186.3
[M]+ 385.09918 195.5
[M]- 385.10028 195.5
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.