CID 381667

Nsc668495

Structural Information

Molecular Formula
C14H16N4OS
SMILES
C1CCN(CC1)C(=S)N=NC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C14H16N4OS/c19-13-12(10-6-2-3-7-11(10)15-13)16-17-14(20)18-8-4-1-5-9-18/h2-3,6-7,15,19H,1,4-5,8-9H2
InChIKey
XKLNKBOZHHMKRO-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-1H-indol-3-yl)imino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.1045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11178 163.0
[M+Na]+ 311.09372 170.1
[M-H]- 287.09722 167.9
[M+NH4]+ 306.13832 178.8
[M+K]+ 327.06766 164.8
[M+H-H2O]+ 271.10176 154.9
[M+HCOO]- 333.10270 179.3
[M+CH3COO]- 347.11835 173.6
[M+Na-2H]- 309.07917 165.8
[M]+ 288.10395 161.1
[M]- 288.10505 161.1
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.