CID 3035271

Iem 400

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CN1C(=CC(=N1)C(=O)N(C)C)C(=O)N(C)C
InChI
InChI=1S/C10H16N4O2/c1-12(2)9(15)7-6-8(14(5)11-7)10(16)13(3)4/h6H,1-5H3
InChIKey
XGQCQNGYWVWVKE-UHFFFAOYSA-N
Compound name
3-N,3-N,5-N,5-N,1-pentamethylpyrazole-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 150.5
[M+Na]+ 247.11654 157.9
[M-H]- 223.12004 155.1
[M+NH4]+ 242.16114 168.9
[M+K]+ 263.09048 159.3
[M+H-H2O]+ 207.12458 142.6
[M+HCOO]- 269.12552 174.9
[M+CH3COO]- 283.14117 201.6
[M+Na-2H]- 245.10199 151.6
[M]+ 224.12677 154.4
[M]- 224.12787 154.4
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.