CID 790718

1-(3-methyl-pyridin-2-yl)-3-phenyl-urea

Structural Information

Molecular Formula
C13H13N3O
SMILES
CC1=C(N=CC=C1)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H13N3O/c1-10-6-5-9-14-12(10)16-13(17)15-11-7-3-2-4-8-11/h2-9H,1H3,(H2,14,15,16,17)
InChIKey
IKDYBHFQQDWWKB-UHFFFAOYSA-N
Compound name
1-(3-methylpyridin-2-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

227.10587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 151.5
[M+Na]+ 250.09509 164.5
[M+NH4]+ 245.13969 159.5
[M+K]+ 266.06903 157.4
[M-H]- 226.09859 156.4
[M+Na-2H]- 248.08054 161.2
[M]+ 227.10532 154.6
[M]- 227.10642 154.6
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