CID 3746126

624725-34-4

Structural Information

Molecular Formula
C19H16ClN3O5
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=C(C=C(C=C3)Cl)O
InChI
InChI=1S/C19H16ClN3O5/c1-2-28-16(25)10-23-14-6-4-3-5-12(14)17(19(23)27)21-22-18(26)13-8-7-11(20)9-15(13)24/h3-9,24,27H,2,10H2,1H3
InChIKey
MFEWMVGYNZSTLN-UHFFFAOYSA-N
Compound name
ethyl 2-[3-[(4-chloro-2-hydroxybenzoyl)diazenyl]-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.07785 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.08513 190.4
[M+Na]+ 424.06707 200.0
[M-H]- 400.07057 198.1
[M+NH4]+ 419.11167 203.4
[M+K]+ 440.04101 195.5
[M+H-H2O]+ 384.07511 182.4
[M+HCOO]- 446.07605 210.7
[M+CH3COO]- 460.09170 224.7
[M+Na-2H]- 422.05252 192.4
[M]+ 401.07730 199.2
[M]- 401.07840 199.2
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.