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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09274 141.9
[M+Na]+ 225.07468 148.9
[M-H]- 201.07818 144.7
[M+NH4]+ 220.11928 158.2
[M+K]+ 241.04862 145.0
[M+H-H2O]+ 185.08272 133.5
[M+HCOO]- 247.08366 165.2
[M+CH3COO]- 261.09931 184.6
[M+Na-2H]- 223.06013 147.3
[M]+ 202.08491 137.5
[M]- 202.08601 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe