CID 135964592

[(e)-(1-ethyl-2-thioxo-indolin-3-ylidene)amino]urea

Structural Information

Molecular Formula
C11H12N4OS
SMILES
CCN1C2=CC=CC=C2C(=C1S)N=NC(=O)N
InChI
InChI=1S/C11H12N4OS/c1-2-15-8-6-4-3-5-7(8)9(10(15)17)13-14-11(12)16/h3-6,17H,2H2,1H3,(H2,12,16)
InChIKey
GLIILALCOHXJQV-UHFFFAOYSA-N
Compound name
(1-ethyl-2-sulfanylindol-3-yl)iminourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.07318 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08046 152.9
[M+Na]+ 271.06240 163.5
[M-H]- 247.06590 159.6
[M+NH4]+ 266.10700 173.2
[M+K]+ 287.03634 160.3
[M+H-H2O]+ 231.07044 145.6
[M+HCOO]- 293.07138 177.2
[M+CH3COO]- 307.08703 203.4
[M+Na-2H]- 269.04785 156.9
[M]+ 248.07263 158.3
[M]- 248.07373 158.3
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.