CID 9839995

Pd-160725 2-hydroxyethanesulfonate

Structural Information

Molecular Formula
C15H18N4O4
SMILES
CC1=C(C=C2C(=C1CN3CCCCC3)NC(=O)C(=O)N2)[N+](=O)[O-]
InChI
InChI=1S/C15H18N4O4/c1-9-10(8-18-5-3-2-4-6-18)13-11(7-12(9)19(22)23)16-14(20)15(21)17-13/h7H,2-6,8H2,1H3,(H,16,20)(H,17,21)
InChIKey
SUKSAXBKZZSCRI-UHFFFAOYSA-N
Compound name
6-methyl-7-nitro-5-(piperidin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

318.1328 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14008 170.1
[M+Na]+ 341.12202 183.6
[M+NH4]+ 336.16662 175.5
[M+K]+ 357.09596 180.6
[M-H]- 317.12552 172.5
[M+Na-2H]- 339.10747 174.3
[M]+ 318.13225 172.3
[M]- 318.13335 172.3
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