CID 136169663

Chembl476558

Structural Information

Molecular Formula
C17H15ClN4OS
SMILES
CC1=CC2=C(C=C1)N(C(=C2N=NC(=S)NC3=CC=C(C=C3)Cl)O)C
InChI
InChI=1S/C17H15ClN4OS/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
JBUQUMUXIQHKQP-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(2-hydroxy-1,5-dimethylindol-3-yl)iminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.06552 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07280 183.4
[M+Na]+ 381.05474 194.7
[M-H]- 357.05824 192.5
[M+NH4]+ 376.09934 199.9
[M+K]+ 397.02868 187.7
[M+H-H2O]+ 341.06278 176.1
[M+HCOO]- 403.06372 201.7
[M+CH3COO]- 417.07937 195.4
[M+Na-2H]- 379.04019 185.7
[M]+ 358.06497 190.6
[M]- 358.06607 190.6
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.