CID 3573326

624726-31-4

Structural Information

Molecular Formula
C19H16BrN3O5
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C19H16BrN3O5/c1-2-28-16(25)10-23-14-6-4-3-5-12(14)17(19(23)27)21-22-18(26)13-9-11(20)7-8-15(13)24/h3-9,24,27H,2,10H2,1H3
InChIKey
CXPYWCLVTZTELU-UHFFFAOYSA-N
Compound name
ethyl 2-[3-[(5-bromo-2-hydroxybenzoyl)diazenyl]-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.02734 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.03462 192.0
[M+Na]+ 468.01656 202.6
[M-H]- 444.02006 201.5
[M+NH4]+ 463.06116 205.8
[M+K]+ 483.99050 191.6
[M+H-H2O]+ 428.02460 188.6
[M+HCOO]- 490.02554 213.8
[M+CH3COO]- 504.04119 228.3
[M+Na-2H]- 466.00201 195.2
[M]+ 445.02679 216.0
[M]- 445.02789 216.0
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.