CID 45792257

1,3-bis(1,3-dimethyl-1h-pyrazol-5-yl)urea

Structural Information

Molecular Formula
C11H16N6O
SMILES
CC1=NN(C(=C1)NC(=O)NC2=CC(=NN2C)C)C
InChI
InChI=1S/C11H16N6O/c1-7-5-9(16(3)14-7)12-11(18)13-10-6-8(2)15-17(10)4/h5-6H,1-4H3,(H2,12,13,18)
InChIKey
YKPQIDOCNCFFFW-UHFFFAOYSA-N
Compound name
1,3-bis(2,5-dimethylpyrazol-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13857 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14585 156.3
[M+Na]+ 271.12779 166.8
[M-H]- 247.13129 160.1
[M+NH4]+ 266.17239 172.0
[M+K]+ 287.10173 163.9
[M+H-H2O]+ 231.13583 147.1
[M+HCOO]- 293.13677 180.9
[M+CH3COO]- 307.15242 199.3
[M+Na-2H]- 269.11324 158.7
[M]+ 248.13802 159.5
[M]- 248.13912 159.5
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

No patent data available for this compound.