CID 369483

908806-00-8

Structural Information

Molecular Formula
C26H17ClN2O5
SMILES
C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H17ClN2O5/c27-15-9-11-16(12-10-15)28-26(34)24(32)14-22(30)19-7-3-4-8-20(19)29-21-13-23(31)25(33)18-6-2-1-5-17(18)21/h1-13,29H,14H2,(H,28,34)
InChIKey
CITLSTZRNQPUSX-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-4-[2-[(3,4-dioxonaphthalen-1-yl)amino]phenyl]-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.0826 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.08988 208.5
[M+Na]+ 495.07182 214.4
[M-H]- 471.07532 218.6
[M+NH4]+ 490.11642 216.5
[M+K]+ 511.04576 208.7
[M+H-H2O]+ 455.07986 198.6
[M+HCOO]- 517.08080 224.5
[M+CH3COO]- 531.09645 240.8
[M+Na-2H]- 493.05727 209.0
[M]+ 472.08205 211.3
[M]- 472.08315 211.3
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.