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

4287
Patents

224.09094 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09822 143.5
[M+Na]+ 247.08016 147.8
[M-H]- 223.08366 146.5
[M+NH4]+ 242.12476 159.3
[M+K]+ 263.05410 142.1
[M+H-H2O]+ 207.08820 140.7
[M+HCOO]- 269.08914 170.9
[M+CH3COO]- 283.10479 188.9
[M+Na-2H]- 245.06561 150.9
[M]+ 224.09039 139.2
[M]- 224.09149 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