CID 364323

Nsc630339

Structural Information

Molecular Formula
C25H27N3O5
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C
InChI
InChI=1S/C25H27N3O5/c1-14(2)17-9-8-10-18(15(3)4)23(17)26-25(31)22(30)13-21(29)24-16(5)27(32)19-11-6-7-12-20(19)28(24)33/h6-12,14-15H,13H2,1-5H3,(H,26,31)
InChIKey
ZXMYTRIECTZZHI-UHFFFAOYSA-N
Compound name
N-[2,6-di(propan-2-yl)phenyl]-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

449.19507 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.20235 206.9
[M+Na]+ 472.18429 211.7
[M-H]- 448.18779 210.6
[M+NH4]+ 467.22889 212.3
[M+K]+ 488.15823 202.9
[M+H-H2O]+ 432.19233 201.4
[M+HCOO]- 494.19327 220.8
[M+CH3COO]- 508.20892 230.1
[M+Na-2H]- 470.16974 205.8
[M]+ 449.19452 207.9
[M]- 449.19562 207.9
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.