CID 136169632

Chembl514526

Structural Information

Molecular Formula
C16H20N4OS
SMILES
CC1=CC2=C(C=C1)NC(=C2N=NC(=S)NC3CCCCC3)O
InChI
InChI=1S/C16H20N4OS/c1-10-7-8-13-12(9-10)14(15(21)18-13)19-20-16(22)17-11-5-3-2-4-6-11/h7-9,11,18,21H,2-6H2,1H3,(H,17,22)
InChIKey
BVHLOPAJBOLOBJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.13577 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14305 170.2
[M+Na]+ 339.12499 176.3
[M-H]- 315.12849 176.3
[M+NH4]+ 334.16959 186.1
[M+K]+ 355.09893 170.7
[M+H-H2O]+ 299.13303 162.5
[M+HCOO]- 361.13397 188.0
[M+CH3COO]- 375.14962 180.5
[M+Na-2H]- 337.11044 172.4
[M]+ 316.13522 168.3
[M]- 316.13632 168.3
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.