CID 3018395

73013-77-1

Structural Information

Molecular Formula
C24H20N6O3
SMILES
C1=CC=C(C=C1)OCCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N
InChI
InChI=1S/C24H20N6O3/c25-13-4-14-29(15-16-33-23-5-2-1-3-6-23)21-9-7-20(8-10-21)27-28-24-12-11-22(30(31)32)17-19(24)18-26/h1-3,5-12,17H,4,14-16H2
InChIKey
DRTTUVOUBWLRPF-UHFFFAOYSA-N
Compound name
2-[[4-[2-cyanoethyl(2-phenoxyethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1597 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.166976 215.5
[M+Na]+ 463.148918 221.3
[M-H]- 439.152424 221.0
[M+NH4]+ 458.193523 219.7
[M+K]+ 479.122858 212.4
[M+H-H2O]+ 423.156960 198.3
[M+HCOO]- 485.157901 230.1
[M+CH3COO]- 499.173551 250.6
[M+Na-2H]- 461.134366 215.1
[M]+ 440.15915142 207.4
[M]- 440.16024858 207.4
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.