CID 23548355

1-(2-nitrophenyl)-3-(propan-2-yl)urea

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CC(C)NC(=O)NC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O3/c1-7(2)11-10(14)12-8-5-3-4-6-9(8)13(15)16/h3-7H,1-2H3,(H2,11,12,14)
InChIKey
PLONQUZHJQIGCO-UHFFFAOYSA-N
Compound name
1-(2-nitrophenyl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.09569 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.102966 146.6
[M+Na]+ 246.084908 151.3
[M-H]- 222.088414 150.2
[M+NH4]+ 241.129513 163.2
[M+K]+ 262.058848 146.2
[M+H-H2O]+ 206.092950 144.3
[M+HCOO]- 268.093891 172.4
[M+CH3COO]- 282.109541 187.6
[M+Na-2H]- 244.070356 152.7
[M]+ 223.09514142 143.7
[M]- 223.09623858 143.7
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