CID 64375

Brn 2680429

Structural Information

Molecular Formula
C14H16N4O6
SMILES
C1C2(CC3(CC(C2=O)(CC1(C3=O)C(=O)N)C(=O)N)C(=O)N)C(=O)N
InChI
InChI=1S/C14H16N4O6/c15-7(21)11-1-12(8(16)22)3-14(5(11)19,10(18)24)4-13(2-11,6(12)20)9(17)23/h1-4H2,(H2,15,21)(H2,16,22)(H2,17,23)(H2,18,24)
InChIKey
IBMMNWZLAHPJEX-UHFFFAOYSA-N
Compound name
2,6-dioxoadamantane-1,3,5,7-tetracarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.107 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11428 171.8
[M+Na]+ 359.09622 175.5
[M-H]- 335.09972 164.6
[M+NH4]+ 354.14082 194.8
[M+K]+ 375.07016 175.3
[M+H-H2O]+ 319.10426 168.8
[M+HCOO]- 381.10520 176.7
[M+CH3COO]- 395.12085 226.6
[M+Na-2H]- 357.08167 180.9
[M]+ 336.10645 171.0
[M]- 336.10755 171.0
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.