CID 136169694

Chembl490206

Structural Information

Molecular Formula
C15H20N4OS
SMILES
CCCCNC(=S)N=NC1=C(N(C2=C1C=C(C=C2)C)C)O
InChI
InChI=1S/C15H20N4OS/c1-4-5-8-16-15(21)18-17-13-11-9-10(2)6-7-12(11)19(3)14(13)20/h6-7,9,20H,4-5,8H2,1-3H3,(H,16,21)
InChIKey
DBQRHZUDFFYBGR-UHFFFAOYSA-N
Compound name
1-butyl-3-(2-hydroxy-1,5-dimethylindol-3-yl)iminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.13577 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14305 170.9
[M+Na]+ 327.12499 180.1
[M-H]- 303.12849 176.4
[M+NH4]+ 322.16959 188.9
[M+K]+ 343.09893 175.5
[M+H-H2O]+ 287.13303 163.4
[M+HCOO]- 349.13397 192.9
[M+CH3COO]- 363.14962 214.1
[M+Na-2H]- 325.11044 172.9
[M]+ 304.13522 177.2
[M]- 304.13632 177.2
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.