CID 3020963

85750-13-6

Structural Information

Molecular Formula
C22H29ClN4O4
SMILES
CCN(CCOC(C)OCC(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C22H29ClN4O4/c1-5-26(12-13-30-17(4)31-15-16(2)3)19-8-6-18(7-9-19)24-25-22-11-10-20(27(28)29)14-21(22)23/h6-11,14,16-17H,5,12-13,15H2,1-4H3
InChIKey
VWRRSPVNTFSBNV-UHFFFAOYSA-N
Compound name
4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

448.18774 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.19502 211.7
[M+Na]+ 471.17696 213.9
[M-H]- 447.18046 220.8
[M+NH4]+ 466.22156 221.2
[M+K]+ 487.15090 208.0
[M+H-H2O]+ 431.18500 206.1
[M+HCOO]- 493.18594 234.5
[M+CH3COO]- 507.20159 241.3
[M+Na-2H]- 469.16241 213.0
[M]+ 448.18719 219.1
[M]- 448.18829 219.1
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

patents stripe