CID 3034557

Urea, 1-allyl-3-(m-nitrophenyl)-2-thio-

Structural Information

Molecular Formula
C10H11N3O2S
SMILES
C=CCNC(=S)NC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O2S/c1-2-6-11-10(16)12-8-4-3-5-9(7-8)13(14)15/h2-5,7H,1,6H2,(H2,11,12,16)
InChIKey
FVADBRSNOKZHHA-UHFFFAOYSA-N
Compound name
1-(3-nitrophenyl)-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

237.0572 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06448 148.5
[M+Na]+ 260.04642 158.6
[M+NH4]+ 255.09102 155.8
[M+K]+ 276.02036 153.6
[M-H]- 236.04992 152.1
[M+Na-2H]- 258.03187 153.8
[M]+ 237.05665 151.0
[M]- 237.05775 151.0
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.