CID 5388390

(2e)-2-[(cyanoacetyl)hydrazono]-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-4-oxobutanamide

Structural Information

Molecular Formula
C16H14N6O5
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C/C(=N\NC(=O)CC#N)/C(=O)N
InChI
InChI=1S/C16H14N6O5/c1-9-15(22(27)12-5-3-2-4-11(12)21(9)26)13(23)8-10(16(18)25)19-20-14(24)6-7-17/h2-5H,6,8H2,1H3,(H2,18,25)(H,20,24)/b19-10+
InChIKey
OWGCJBVZAVSDNV-VXLYETTFSA-N
Compound name
(2E)-2-[(2-cyanoacetyl)hydrazinylidene]-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.10257 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10985 188.7
[M+Na]+ 393.09179 195.0
[M-H]- 369.09529 188.7
[M+NH4]+ 388.13639 195.5
[M+K]+ 409.06573 187.8
[M+H-H2O]+ 353.09983 177.0
[M+HCOO]- 415.10077 204.4
[M+CH3COO]- 429.11642 224.4
[M+Na-2H]- 391.07724 190.9
[M]+ 370.10202 181.7
[M]- 370.10312 181.7
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.