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]+ 238.11862 151.7
[M+Na]+ 260.10056 156.4
[M-H]- 236.10406 156.5
[M+NH4]+ 255.14516 168.5
[M+K]+ 276.07450 152.0
[M+H-H2O]+ 220.10860 149.0
[M+HCOO]- 282.10954 178.7
[M+CH3COO]- 296.12519 193.3
[M+Na-2H]- 258.08601 157.7
[M]+ 237.11079 151.1
[M]- 237.11189 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.