CID 482072

1-phenethyl-3-(1h-pyrazol-3-yl)urea

Structural Information

Molecular Formula
C12H14N4O
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=CC=NN2
InChI
InChI=1S/C12H14N4O/c17-12(15-11-7-9-14-16-11)13-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H3,13,14,15,16,17)
InChIKey
KRHCEGXHFWHYLO-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-3-(1H-pyrazol-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12404 150.0
[M+Na]+ 253.10598 155.3
[M-H]- 229.10948 152.6
[M+NH4]+ 248.15058 165.2
[M+K]+ 269.07992 151.3
[M+H-H2O]+ 213.11402 140.9
[M+HCOO]- 275.11496 173.3
[M+CH3COO]- 289.13061 189.4
[M+Na-2H]- 251.09143 156.2
[M]+ 230.11621 146.9
[M]- 230.11731 146.9
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

No patent data available for this compound.