CID 6399928

(2z)-2-hydroxyimino-4-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-4-oxo-n-(2,4,5-trichlorophenyl)butanamide

Structural Information

Molecular Formula
C19H13Cl3N4O5
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C/C(=N/O)/C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C19H13Cl3N4O5/c1-9-18(26(31)16-5-3-2-4-15(16)25(9)30)17(27)8-14(24-29)19(28)23-13-7-11(21)10(20)6-12(13)22/h2-7,29H,8H2,1H3,(H,23,28)/b24-14-
InChIKey
VJKZYNMNGDXZFC-OYKKKHCWSA-N
Compound name
(2Z)-2-hydroxyimino-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxo-N-(2,4,5-trichlorophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.99515 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.00243 201.6
[M+Na]+ 504.98437 209.3
[M-H]- 480.98787 203.8
[M+NH4]+ 500.02897 207.4
[M+K]+ 520.95831 199.4
[M+H-H2O]+ 464.99241 198.9
[M+HCOO]- 526.99335 205.8
[M+CH3COO]- 541.00900 228.1
[M+Na-2H]- 502.96982 203.2
[M]+ 481.99460 205.8
[M]- 481.99570 205.8
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.