CID 24847591

Urea, (4-phenylpyrazol-3-yl)-

Structural Information

Molecular Formula

C₁₀H₁₀N₄O

SMILES

C1=CC=C(C=C1)C2=C(NN=C2)NC(=O)N

InChI

InChI=1S/C10H10N4O/c11-10(15)13-9-8(6-12-14-9)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14,15)

InChIKey

CXRCHUBBNXZSGD-UHFFFAOYSA-N

Compound name

(4-phenyl-1H-pyrazol-5-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 202.08546 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.09274	143.3
[M+Na]+	225.07468	153.7
[M+NH4]+	220.11928	150.1
[M+K]+	241.04862	150.6
[M-H]-	201.07818	145.7
[M+Na-2H]-	223.06013	150.4
[M]+	202.08491	145.0
[M]-	202.08601	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe