CID 77059125

3-methyl-1-[2-(1h-pyrazol-3-yl)ethyl]urea

Structural Information

Molecular Formula
C7H12N4O
SMILES
CNC(=O)NCCC1=CC=NN1
InChI
InChI=1S/C7H12N4O/c1-8-7(12)9-4-2-6-3-5-10-11-6/h3,5H,2,4H2,1H3,(H,10,11)(H2,8,9,12)
InChIKey
GHAVKPWNQGOHDF-UHFFFAOYSA-N
Compound name
1-methyl-3-[2-(1H-pyrazol-5-yl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 136.5
[M+Na]+ 191.09032 144.3
[M+NH4]+ 186.13492 142.6
[M+K]+ 207.06426 142.0
[M-H]- 167.09382 136.1
[M+Na-2H]- 189.07577 140.7
[M]+ 168.10055 136.9
[M]- 168.10165 136.9
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.