CID 4988668

624726-15-4

Structural Information

Molecular Formula
C18H15N3O5
SMILES
COC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C18H15N3O5/c1-26-15(23)10-21-13-8-4-2-6-11(13)16(18(21)25)19-20-17(24)12-7-3-5-9-14(12)22/h2-9,22,25H,10H2,1H3
InChIKey
IGLMLZYXILNGMD-UHFFFAOYSA-N
Compound name
methyl 2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.10117 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10845 178.4
[M+Na]+ 376.09039 186.8
[M-H]- 352.09389 186.1
[M+NH4]+ 371.13499 192.2
[M+K]+ 392.06433 184.0
[M+H-H2O]+ 336.09843 169.7
[M+HCOO]- 398.09937 203.6
[M+CH3COO]- 412.11502 216.9
[M+Na-2H]- 374.07584 182.2
[M]+ 353.10062 184.1
[M]- 353.10172 184.1
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

No patent data available for this compound.