CID 4329921

3-ethyl-1-(3-nitrophenyl)urea

Structural Information

Molecular Formula
C9H11N3O3
SMILES
CCNC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O3/c1-2-10-9(13)11-7-4-3-5-8(6-7)12(14)15/h3-6H,2H2,1H3,(H2,10,11,13)
InChIKey
MYBAPDHPDMSFRP-UHFFFAOYSA-N
Compound name
1-ethyl-3-(3-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.087326 141.7
[M+Na]+ 232.069268 147.1
[M-H]- 208.072774 145.4
[M+NH4]+ 227.113873 159.0
[M+K]+ 248.043208 141.7
[M+H-H2O]+ 192.077310 139.5
[M+HCOO]- 254.078251 168.8
[M+CH3COO]- 268.093901 183.8
[M+Na-2H]- 230.054716 149.6
[M]+ 209.07950142 139.2
[M]- 209.08059858 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.