CID 170146

38978-80-2

Structural Information

Molecular Formula
C23H22N4O4
SMILES
CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C23H22N4O4/c1-2-26(16-17-31-23(28)18-6-4-3-5-7-18)21-12-8-19(9-13-21)24-25-20-10-14-22(15-11-20)27(29)30/h3-15H,2,16-17H2,1H3
InChIKey
HFAUUNNJWQYWET-UHFFFAOYSA-N
Compound name
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

418.1641 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17138 200.0
[M+Na]+ 441.15332 201.6
[M-H]- 417.15682 212.3
[M+NH4]+ 436.19792 208.7
[M+K]+ 457.12726 195.5
[M+H-H2O]+ 401.16136 191.9
[M+HCOO]- 463.16230 229.1
[M+CH3COO]- 477.17795 233.4
[M+Na-2H]- 439.13877 205.9
[M]+ 418.16355 201.8
[M]- 418.16465 201.8
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