CID 4198209

1-ethyl-3-(4-nitrophenyl)urea

Structural Information

Molecular Formula
C9H11N3O3
SMILES
CCNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O3/c1-2-10-9(13)11-7-3-5-8(6-4-7)12(14)15/h3-6H,2H2,1H3,(H2,10,11,13)
InChIKey
RVKAYYRPBXZIII-UHFFFAOYSA-N
Compound name
1-ethyl-3-(4-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.08005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 141.7
[M+Na]+ 232.06927 147.1
[M-H]- 208.07277 145.4
[M+NH4]+ 227.11387 159.0
[M+K]+ 248.04321 141.7
[M+H-H2O]+ 192.07731 139.5
[M+HCOO]- 254.07825 168.8
[M+CH3COO]- 268.09390 183.8
[M+Na-2H]- 230.05472 149.6
[M]+ 209.07950 139.2
[M]- 209.08060 139.2
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