CID 3693631

624726-30-3

Structural Information

Molecular Formula
C20H18ClN3O4
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H18ClN3O4/c1-2-28-18(26)12-24-16-6-4-3-5-15(16)19(20(24)27)23-22-17(25)11-13-7-9-14(21)10-8-13/h3-10,27H,2,11-12H2,1H3
InChIKey
OGLLZFVCOAMBBD-UHFFFAOYSA-N
Compound name
ethyl 2-[3-[[2-(4-chlorophenyl)acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.09857 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.10585 191.7
[M+Na]+ 422.08779 204.7
[M+NH4]+ 417.13239 197.7
[M+K]+ 438.06173 199.3
[M-H]- 398.09129 195.3
[M+Na-2H]- 420.07324 198.0
[M]+ 399.09802 194.6
[M]- 399.09912 194.6
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.