CID 7342344

4-nitrophenyl aminoethylurea

Structural Information

Molecular Formula
C9H12N4O3
SMILES
C1=CC(=CC=C1NCCNC(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C9H12N4O3/c10-9(14)12-6-5-11-7-1-3-8(4-2-7)13(15)16/h1-4,11H,5-6H2,(H3,10,12,14)
InChIKey
OJYWOOVHUFSZJP-UHFFFAOYSA-N
Compound name
2-(4-nitroanilino)ethylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4644
Patents

224.09094 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.098216 143.5
[M+Na]+ 247.080158 147.8
[M-H]- 223.083664 146.5
[M+NH4]+ 242.124763 159.3
[M+K]+ 263.054098 142.1
[M+H-H2O]+ 207.088200 140.7
[M+HCOO]- 269.089141 170.9
[M+CH3COO]- 283.104791 188.9
[M+Na-2H]- 245.065606 150.9
[M]+ 224.09039142 139.2
[M]- 224.09148858 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

patents stripe