CID 136169643

Chembl478645

Structural Information

Molecular Formula
C17H22N4OS
SMILES
CC1=CC2=C(C=C1)N(C(=C2N=NC(=S)NC3CCCCC3)O)C
InChI
InChI=1S/C17H22N4OS/c1-11-8-9-14-13(10-11)15(16(22)21(14)2)19-20-17(23)18-12-6-4-3-5-7-12/h8-10,12,22H,3-7H2,1-2H3,(H,18,23)
InChIKey
SMSLBUPUAUITJV-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(2-hydroxy-1,5-dimethylindol-3-yl)iminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.15143 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15871 176.1
[M+Na]+ 353.14065 182.9
[M-H]- 329.14415 183.7
[M+NH4]+ 348.18525 192.3
[M+K]+ 369.11459 177.9
[M+H-H2O]+ 313.14869 168.0
[M+HCOO]- 375.14963 194.8
[M+CH3COO]- 389.16528 217.0
[M+Na-2H]- 351.12610 177.2
[M]+ 330.15088 176.6
[M]- 330.15198 176.6
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.