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]+ 245.139696 155.9
[M+Na]+ 267.121638 161.8
[M-H]- 243.125144 160.3
[M+NH4]+ 262.166243 171.6
[M+K]+ 283.095578 159.0
[M+H-H2O]+ 227.129680 146.8
[M+HCOO]- 289.130621 179.4
[M+CH3COO]- 303.146271 196.8
[M+Na-2H]- 265.107086 160.0
[M]+ 244.13187142 154.8
[M]- 244.13296858 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.