CID 364309

Nsc630327

Structural Information

Molecular Formula
C19H14ClN3O5
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H14ClN3O5/c1-11-18(23(28)15-5-3-2-4-14(15)22(11)27)16(24)10-17(25)19(26)21-13-8-6-12(20)7-9-13/h2-9H,10H2,1H3,(H,21,26)
InChIKey
DDQHTZFMSGAPTM-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-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

399.0622 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.06948 187.9
[M+Na]+ 422.05142 195.5
[M-H]- 398.05492 191.8
[M+NH4]+ 417.09602 196.1
[M+K]+ 438.02536 185.4
[M+H-H2O]+ 382.05946 183.5
[M+HCOO]- 444.06040 201.4
[M+CH3COO]- 458.07605 213.2
[M+Na-2H]- 420.03687 192.0
[M]+ 399.06165 190.1
[M]- 399.06275 190.1
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.