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 192.9
[M+Na]+ 422.08779 201.9
[M-H]- 398.09129 201.3
[M+NH4]+ 417.13239 206.5
[M+K]+ 438.06173 197.1
[M+H-H2O]+ 382.09583 184.2
[M+HCOO]- 444.09677 214.1
[M+CH3COO]- 458.11242 226.2
[M+Na-2H]- 420.07324 195.2
[M]+ 399.09802 202.0
[M]- 399.09912 202.0
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.