CID 212503

Nsc689436

Structural Information

Molecular Formula
C17H18N2O4
SMILES
C1=CC=C(C(=C1)C(=O)NCCCNC(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C17H18N2O4/c20-14-8-3-1-6-12(14)16(22)18-10-5-11-19-17(23)13-7-2-4-9-15(13)21/h1-4,6-9,20-21H,5,10-11H2,(H,18,22)(H,19,23)
InChIKey
HTLJDVIHWALVJK-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[3-[(2-hydroxybenzoyl)amino]propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

314.12665 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 174.4
[M+Na]+ 337.11587 184.2
[M+NH4]+ 332.16047 179.6
[M+K]+ 353.08981 179.1
[M-H]- 313.11937 176.9
[M+Na-2H]- 335.10132 180.1
[M]+ 314.12610 176.0
[M]- 314.12720 176.0
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