CID 565803

Jygqcajwwfnrcv-uhfffaoysa-n

Structural Information

Molecular Formula
C11H9N5O3
SMILES
C1=CN=C(N=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N5O3/c17-11(15-10-12-6-1-7-13-10)14-8-2-4-9(5-3-8)16(18)19/h1-7H,(H2,12,13,14,15,17)
InChIKey
JYGQCAJWWFNRCV-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-3-pyrimidin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.07053 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07781 150.8
[M+Na]+ 282.05975 156.1
[M-H]- 258.06325 155.1
[M+NH4]+ 277.10435 162.7
[M+K]+ 298.03369 149.1
[M+H-H2O]+ 242.06779 145.6
[M+HCOO]- 304.06873 176.1
[M+CH3COO]- 318.08438 191.2
[M+Na-2H]- 280.04520 161.6
[M]+ 259.06998 147.3
[M]- 259.07108 147.3
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.