CID 364329

Nsc630344

Structural Information

Molecular Formula
C23H25N3O5
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C23H25N3O5/c1-12-22(26(31)18-5-3-2-4-17(18)25(12)30)19(27)11-20(28)23(29)24-21-15-7-13-6-14(9-15)10-16(21)8-13/h2-5,13-16,21H,6-11H2,1H3,(H,24,29)
InChIKey
RKTWPZXAJCZBAM-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1794 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.18668 189.8
[M+Na]+ 446.16862 187.9
[M-H]- 422.17212 184.2
[M+NH4]+ 441.21322 200.3
[M+K]+ 462.14256 180.3
[M+H-H2O]+ 406.17666 183.8
[M+HCOO]- 468.17760 189.5
[M+CH3COO]- 482.19325 229.5
[M+Na-2H]- 444.15407 197.4
[M]+ 423.17885 188.8
[M]- 423.17995 188.8
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.