CID 175015

Einecs 276-554-4

Structural Information

Molecular Formula
C25H23N5O5
SMILES
C1=CC=C(C=C1)OCC(=O)OCCN(CCC#N)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C25H23N5O5/c26-15-4-16-29(17-18-34-25(31)19-35-24-5-2-1-3-6-24)22-11-7-20(8-12-22)27-28-21-9-13-23(14-10-21)30(32)33/h1-3,5-14H,4,16-19H2
InChIKey
VIRORHJDLRRCJG-UHFFFAOYSA-N
Compound name
2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.16992 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.17720 221.6
[M+Na]+ 496.15914 224.3
[M-H]- 472.16264 229.9
[M+NH4]+ 491.20374 226.3
[M+K]+ 512.13308 216.6
[M+H-H2O]+ 456.16718 206.0
[M+HCOO]- 518.16812 244.7
[M+CH3COO]- 532.18377 248.1
[M+Na-2H]- 494.14459 224.4
[M]+ 473.16937 218.7
[M]- 473.17047 218.7
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.