CID 12897225

Urea, n-(2-methoxy-4-pyridinyl)-n'-phenyl-

Structural Information

Molecular Formula
C13H13N3O2
SMILES
COC1=NC=CC(=C1)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H13N3O2/c1-18-12-9-11(7-8-14-12)16-13(17)15-10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,15,16,17)
InChIKey
HATOTLUJWFPHHP-UHFFFAOYSA-N
Compound name
1-(2-methoxypyridin-4-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

243.10077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 153.0
[M+Na]+ 266.08999 159.2
[M-H]- 242.09349 158.4
[M+NH4]+ 261.13459 168.1
[M+K]+ 282.06393 156.3
[M+H-H2O]+ 226.09803 144.1
[M+HCOO]- 288.09897 178.1
[M+CH3COO]- 302.11462 195.5
[M+Na-2H]- 264.07544 160.7
[M]+ 243.10022 152.5
[M]- 243.10132 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe