CID 14432

Eddha

Structural Information

Molecular Formula
C18H20N2O6
SMILES
C1=CC=C(C(=C1)C(C(=O)O)NCCNC(C2=CC=CC=C2O)C(=O)O)O
InChI
InChI=1S/C18H20N2O6/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26)
InChIKey
PZZHMLOHNYWKIK-UHFFFAOYSA-N
Compound name
2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

108
References

4686
Patents

360.13214 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13942 183.6
[M+Na]+ 383.12136 190.2
[M+NH4]+ 378.16596 186.4
[M+K]+ 399.09530 188.5
[M-H]- 359.12486 183.6
[M+Na-2H]- 381.10681 186.3
[M]+ 360.13159 183.7
[M]- 360.13269 183.7
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

patents stripe