CID 103324

Einecs 265-626-0

Structural Information

Molecular Formula
C24H21N5O4
SMILES
CCN(CCN1C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C24H21N5O4/c1-2-27(15-16-28-23(30)21-5-3-4-6-22(21)24(28)31)19-11-7-17(8-12-19)25-26-18-9-13-20(14-10-18)29(32)33/h3-14H,2,15-16H2,1H3
InChIKey
CVBYCXSEWNPNEC-UHFFFAOYSA-N
Compound name
2-[2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

443.15936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.16664 204.4
[M+Na]+ 466.14858 208.2
[M-H]- 442.15208 217.2
[M+NH4]+ 461.19318 213.9
[M+K]+ 482.12252 200.5
[M+H-H2O]+ 426.15662 196.5
[M+HCOO]- 488.15756 231.8
[M+CH3COO]- 502.17321 239.5
[M+Na-2H]- 464.13403 209.5
[M]+ 443.15881 206.1
[M]- 443.15991 206.1
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.