CID 3046738

Sl 74,227

Structural Information

Molecular Formula
C17H17NO3
SMILES
C1=CC=C(C=C1)C(=NCCCC(=O)O)C2=CC=CC=C2O
InChI
InChI=1S/C17H17NO3/c19-15-10-5-4-9-14(15)17(13-7-2-1-3-8-13)18-12-6-11-16(20)21/h1-5,7-10,19H,6,11-12H2,(H,20,21)
InChIKey
VZJMOVXJEUJMMM-UHFFFAOYSA-N
Compound name
4-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 165.9
[M+Na]+ 306.11007 170.6
[M-H]- 282.11357 170.7
[M+NH4]+ 301.15467 180.0
[M+K]+ 322.08401 166.7
[M+H-H2O]+ 266.11811 157.8
[M+HCOO]- 328.11905 187.8
[M+CH3COO]- 342.13470 200.2
[M+Na-2H]- 304.09552 169.1
[M]+ 283.12030 165.3
[M]- 283.12140 165.3
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.