CID 120428

Antiphein

Structural Information

Molecular Formula
C8H12N4O2
SMILES
CNC(=O)C1=C(N(C=N1)C)C(=O)NC
InChI
InChI=1S/C8H12N4O2/c1-9-7(13)5-6(8(14)10-2)12(3)4-11-5/h4H,1-3H3,(H,9,13)(H,10,14)
InChIKey
ARKTUMQGZIFBAJ-UHFFFAOYSA-N
Compound name
4-N,5-N,1-trimethylimidazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

3
Patents

196.09602 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10330 142.6
[M+Na]+ 219.08524 150.5
[M-H]- 195.08874 144.4
[M+NH4]+ 214.12984 160.8
[M+K]+ 235.05918 149.6
[M+H-H2O]+ 179.09328 135.1
[M+HCOO]- 241.09422 166.5
[M+CH3COO]- 255.10987 188.7
[M+Na-2H]- 217.07069 145.9
[M]+ 196.09547 143.1
[M]- 196.09657 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe