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

10
Patents

224.12732 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.134596 150.5
[M+Na]+ 247.116538 157.9
[M-H]- 223.120044 155.1
[M+NH4]+ 242.161143 168.9
[M+K]+ 263.090478 159.3
[M+H-H2O]+ 207.124580 142.6
[M+HCOO]- 269.125521 174.9
[M+CH3COO]- 283.141171 201.6
[M+Na-2H]- 245.101986 151.6
[M]+ 224.12677142 154.4
[M]- 224.12786858 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

patents stripe