CID 90481567

N-(2-ethoxy-5-nitrophenyl)-n'-phenylurea

Structural Information

Molecular Formula
C15H15N3O4
SMILES
CCOC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H15N3O4/c1-2-22-14-9-8-12(18(20)21)10-13(14)17-15(19)16-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,16,17,19)
InChIKey
JRELMRXUDCTPQI-UHFFFAOYSA-N
Compound name
1-(2-ethoxy-5-nitrophenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.10626 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11354 165.6
[M+Na]+ 324.09548 169.9
[M-H]- 300.09898 172.2
[M+NH4]+ 319.14008 178.7
[M+K]+ 340.06942 163.2
[M+H-H2O]+ 284.10352 161.3
[M+HCOO]- 346.10446 192.2
[M+CH3COO]- 360.12011 201.1
[M+Na-2H]- 322.08093 172.6
[M]+ 301.10571 164.4
[M]- 301.10681 164.4
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

No patent data available for this compound.