CID 3572483

1-ethyl-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea

Structural Information

Molecular Formula
C11H11N5O3S
SMILES
CCNC(=S)N=NC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C11H11N5O3S/c1-2-12-11(20)15-14-9-7-5-6(16(18)19)3-4-8(7)13-10(9)17/h3-5,13,17H,2H2,1H3,(H,12,20)
InChIKey
CHQYIZFPXOODLW-UHFFFAOYSA-N
Compound name
1-ethyl-3-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

293.05826 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06554 157.6
[M+Na]+ 316.04748 164.7
[M-H]- 292.05098 161.7
[M+NH4]+ 311.09208 173.4
[M+K]+ 332.02142 156.5
[M+H-H2O]+ 276.05552 154.7
[M+HCOO]- 338.05646 180.3
[M+CH3COO]- 352.07211 199.2
[M+Na-2H]- 314.03293 164.7
[M]+ 293.05771 158.0
[M]- 293.05881 158.0
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.