CID 303031

1,1-diethyl-3-(3-nitrophenyl)urea

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CCN(CC)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O3/c1-3-13(4-2)11(15)12-9-6-5-7-10(8-9)14(16)17/h5-8H,3-4H2,1-2H3,(H,12,15)
InChIKey
MGLQHMGZCTZIJT-UHFFFAOYSA-N
Compound name
1,1-diethyl-3-(3-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11134 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.118616 151.7
[M+Na]+ 260.100558 156.4
[M-H]- 236.104064 156.5
[M+NH4]+ 255.145163 168.5
[M+K]+ 276.074498 152.0
[M+H-H2O]+ 220.108600 149.0
[M+HCOO]- 282.109541 178.7
[M+CH3COO]- 296.125191 193.3
[M+Na-2H]- 258.086006 157.7
[M]+ 237.11079142 151.1
[M]- 237.11188858 151.1
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.