CID 9361722

1-phenyl-3-[1-(propan-2-yl)-1h-pyrazol-5-yl]urea

Structural Information

Molecular Formula
C13H16N4O
SMILES
CC(C)N1C(=CC=N1)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H16N4O/c1-10(2)17-12(8-9-14-17)16-13(18)15-11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,15,16,18)
InChIKey
IUPDIFIBOIPXEL-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2-propan-2-ylpyrazol-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

244.13242 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13970 156.6
[M+Na]+ 267.12164 166.9
[M+NH4]+ 262.16624 163.2
[M+K]+ 283.09558 163.4
[M-H]- 243.12514 159.4
[M+Na-2H]- 265.10709 163.6
[M]+ 244.13187 158.5
[M]- 244.13297 158.5
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

No patent data available for this compound.