CID 2822869

1-benzyl-3-(3-nitrophenyl)urea

Structural Information

Molecular Formula
C14H13N3O3
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N3O3/c18-14(15-10-11-5-2-1-3-6-11)16-12-7-4-8-13(9-12)17(19)20/h1-9H,10H2,(H2,15,16,18)
InChIKey
SYEVCFUGEAHLKC-UHFFFAOYSA-N
Compound name
1-benzyl-3-(3-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

271.0957 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 159.7
[M+Na]+ 294.08492 172.1
[M+NH4]+ 289.12952 167.0
[M+K]+ 310.05886 168.1
[M-H]- 270.08842 165.7
[M+Na-2H]- 292.07037 168.3
[M]+ 271.09515 162.8
[M]- 271.09625 162.8
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