CID 953967

N-ethylisatin-beta-thiosemicarbazone

Structural Information

Molecular Formula
C11H12N4OS
SMILES
CCN1C2=CC=CC=C2C(=C1O)N=NC(=S)N
InChI
InChI=1S/C11H12N4OS/c1-2-15-8-6-4-3-5-7(8)9(10(15)16)13-14-11(12)17/h3-6,16H,2H2,1H3,(H2,12,17)
InChIKey
COZMCJHGLSYRPQ-UHFFFAOYSA-N
Compound name
(1-ethyl-2-hydroxyindol-3-yl)iminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

248.07318 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08046 152.6
[M+Na]+ 271.06240 162.8
[M-H]- 247.06590 158.0
[M+NH4]+ 266.10700 172.3
[M+K]+ 287.03634 158.7
[M+H-H2O]+ 231.07044 145.7
[M+HCOO]- 293.07138 175.5
[M+CH3COO]- 307.08703 201.0
[M+Na-2H]- 269.04785 156.4
[M]+ 248.07263 156.3
[M]- 248.07373 156.3
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

patents stripe