CID 165360877

Dtxsid701340909

Structural Information

Molecular Formula
C22H14N3O5
SMILES
C1C=CC2=NC(=O)C(=NNC3=C(C=CC(=C3)C(=O)C4=CC=CC=C4C(=O)O)[O-])C2=C1
InChI
InChI=1S/C22H15N3O5/c26-18-10-9-12(20(27)13-5-1-2-6-14(13)22(29)30)11-17(18)24-25-19-15-7-3-4-8-16(15)23-21(19)28/h1-2,4-11,24,26H,3H2,(H,29,30)/p-1
InChIKey
LVQGREJGCVAWJV-UHFFFAOYSA-M
Compound name
4-(2-carboxybenzoyl)-2-[2-(2-oxo-5H-indol-3-ylidene)hydrazinyl]phenolate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.09335 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.10063 186.5
[M+Na]+ 423.08257 192.0
[M-H]- 399.08607 194.8
[M+NH4]+ 418.12717 196.4
[M+K]+ 439.05651 187.9
[M+H-H2O]+ 383.09061 178.7
[M+HCOO]- 445.09155 207.9
[M+CH3COO]- 459.10720 224.2
[M+Na-2H]- 421.06802 187.8
[M]+ 400.09280 185.1
[M]- 400.09390 185.1
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.