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
3
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]+ 444.166636 204.4
[M+Na]+ 466.148578 208.2
[M-H]- 442.152084 217.2
[M+NH4]+ 461.193183 213.9
[M+K]+ 482.122518 200.5
[M+H-H2O]+ 426.156620 196.5
[M+HCOO]- 488.157561 231.8
[M+CH3COO]- 502.173211 239.5
[M+Na-2H]- 464.134026 209.5
[M]+ 443.15881142 206.1
[M]- 443.15990858 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.