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]+ 249.145846 156.3
[M+Na]+ 271.127788 166.8
[M-H]- 247.131294 160.1
[M+NH4]+ 266.172393 172.0
[M+K]+ 287.101728 163.9
[M+H-H2O]+ 231.135830 147.1
[M+HCOO]- 293.136771 180.9
[M+CH3COO]- 307.152421 199.3
[M+Na-2H]- 269.113236 158.7
[M]+ 248.13802142 159.5
[M]- 248.13911858 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.