CID 115841

Einecs 264-973-5

Structural Information

Molecular Formula
C24H17N3O4
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C24H17N3O4/c1-14(28)21(24(31)25-15-8-3-2-4-9-15)27-26-19-13-7-12-18-20(19)23(30)17-11-6-5-10-16(17)22(18)29/h2-13,21H,1H3,(H,25,31)
InChIKey
DFRWBCUUBVLBGL-UHFFFAOYSA-N
Compound name
2-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

411.12192 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.12920 193.7
[M+Na]+ 434.11114 198.9
[M-H]- 410.11464 203.9
[M+NH4]+ 429.15574 205.3
[M+K]+ 450.08508 195.5
[M+H-H2O]+ 394.11918 183.0
[M+HCOO]- 456.12012 216.8
[M+CH3COO]- 470.13577 238.6
[M+Na-2H]- 432.09659 198.2
[M]+ 411.12137 195.2
[M]- 411.12247 195.2
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

patents stripe