CID 270326

1,1-diethyl-3-(4-nitrophenyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

patents stripe