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 155.9
[M+Na]+ 267.12164 161.8
[M-H]- 243.12514 160.3
[M+NH4]+ 262.16624 171.6
[M+K]+ 283.09558 159.0
[M+H-H2O]+ 227.12968 146.8
[M+HCOO]- 289.13062 179.4
[M+CH3COO]- 303.14627 196.8
[M+Na-2H]- 265.10709 160.0
[M]+ 244.13187 154.8
[M]- 244.13297 154.8
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.