CID 136169622

Chembl476780

Structural Information

Molecular Formula
C17H15FN4OS
SMILES
CC1=CC2=C(C=C1)N(C(=C2N=NC(=S)NC3=CC=C(C=C3)F)O)C
InChI
InChI=1S/C17H15FN4OS/c1-10-3-8-14-13(9-10)15(16(23)22(14)2)20-21-17(24)19-12-6-4-11(18)5-7-12/h3-9,23H,1-2H3,(H,19,24)
InChIKey
LWNNMDFNGTYCSI-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(2-hydroxy-1,5-dimethylindol-3-yl)iminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.09506 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10234 177.3
[M+Na]+ 365.08428 188.1
[M-H]- 341.08778 185.2
[M+NH4]+ 360.12888 193.5
[M+K]+ 381.05822 182.0
[M+H-H2O]+ 325.09232 168.3
[M+HCOO]- 387.09326 199.2
[M+CH3COO]- 401.10891 219.8
[M+Na-2H]- 363.06973 179.7
[M]+ 342.09451 181.4
[M]- 342.09561 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.