CID 9575367

4-[(e)-[(3-phenylquinoxalin-2-yl)hydrazono]methyl]phthalic acid

Structural Information

Molecular Formula
C23H16N4O4
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2N/N=C/C4=CC(=C(C=C4)C(=O)O)C(=O)O
InChI
InChI=1S/C23H16N4O4/c28-22(29)16-11-10-14(12-17(16)23(30)31)13-24-27-21-20(15-6-2-1-3-7-15)25-18-8-4-5-9-19(18)26-21/h1-13H,(H,26,27)(H,28,29)(H,30,31)/b24-13+
InChIKey
LFUPROLHPVDMJY-ZMOGYAJESA-N
Compound name
4-[(E)-[(3-phenylquinoxalin-2-yl)hydrazinylidene]methyl]phthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.11716 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12444 195.4
[M+Na]+ 435.10638 201.3
[M-H]- 411.10988 202.2
[M+NH4]+ 430.15098 201.6
[M+K]+ 451.08032 195.4
[M+H-H2O]+ 395.11442 183.5
[M+HCOO]- 457.11536 214.5
[M+CH3COO]- 471.13101 203.4
[M+Na-2H]- 433.09183 200.6
[M]+ 412.11661 195.1
[M]- 412.11771 195.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.