CID 3001332

Cueootayygypcq-nteuormpsa-

Structural Information

Molecular Formula
C19H16ClNO6
SMILES
CCOC1/C(=C/NC2=CC(=C(C=C2)C(=O)O)O)/C(=O)C3=C(O1)C=CC(=C3)Cl
InChI
InChI=1S/C19H16ClNO6/c1-2-26-19-14(17(23)13-7-10(20)3-6-16(13)27-19)9-21-11-4-5-12(18(24)25)15(22)8-11/h3-9,19,21-22H,2H2,1H3,(H,24,25)/b14-9+
InChIKey
CUEOOTAYYGYPCQ-NTEUORMPSA-N
Compound name
4-[[(Z)-(6-chloro-2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.06662 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.07390 186.5
[M+Na]+ 412.05584 194.6
[M-H]- 388.05934 192.5
[M+NH4]+ 407.10044 197.1
[M+K]+ 428.02978 190.3
[M+H-H2O]+ 372.06388 179.4
[M+HCOO]- 434.06482 199.2
[M+CH3COO]- 448.08047 218.3
[M+Na-2H]- 410.04129 188.1
[M]+ 389.06607 190.3
[M]- 389.06717 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.