CID 381665

Nsc668493

Structural Information

Molecular Formula
C13H16N4OS
SMILES
CCN(CC)C(=S)N=NC1=C(NC2=CC=CC=C21)O
InChI
InChI=1S/C13H16N4OS/c1-3-17(4-2)13(19)16-15-11-9-7-5-6-8-10(9)14-12(11)18/h5-8,14,18H,3-4H2,1-2H3
InChIKey
RKVXMJSQFZAMTJ-UHFFFAOYSA-N
Compound name
1,1-diethyl-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.1045 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11178 162.1
[M+Na]+ 299.09372 170.2
[M-H]- 275.09722 167.4
[M+NH4]+ 294.13832 180.5
[M+K]+ 315.06766 166.6
[M+H-H2O]+ 259.10176 154.6
[M+HCOO]- 321.10270 183.9
[M+CH3COO]- 335.11835 206.6
[M+Na-2H]- 297.07917 165.5
[M]+ 276.10395 166.3
[M]- 276.10505 166.3
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.