CID 3001327

Nsc731163

Structural Information

Molecular Formula
C19H17NO6
SMILES
CCOC1/C(=C/NC2=CC(=C(C=C2)C(=O)O)O)/C(=O)C3=CC=CC=C3O1
InChI
InChI=1S/C19H17NO6/c1-2-25-19-14(17(22)13-5-3-4-6-16(13)26-19)10-20-11-7-8-12(18(23)24)15(21)9-11/h3-10,19-21H,2H2,1H3,(H,23,24)/b14-10+
InChIKey
OHQGTRVJZXNWEV-GXDHUFHOSA-N
Compound name
4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

355.1056 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11288 180.0
[M+Na]+ 378.09482 186.5
[M-H]- 354.09832 185.7
[M+NH4]+ 373.13942 190.7
[M+K]+ 394.06876 183.5
[M+H-H2O]+ 338.10286 171.7
[M+HCOO]- 400.10380 197.2
[M+CH3COO]- 414.11945 213.3
[M+Na-2H]- 376.08027 182.7
[M]+ 355.10505 180.9
[M]- 355.10615 180.9
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.