CID 3076537

4-(alpha-(1-naphthyl)-5-fluoro-2-hydroxybenzylidenimino)butyramide

Structural Information

Molecular Formula
C21H19FN2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=NCCCC(=O)N)C3=C(C=CC(=C3)F)O
InChI
InChI=1S/C21H19FN2O2/c22-15-10-11-19(25)18(13-15)21(24-12-4-9-20(23)26)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,10-11,13,25H,4,9,12H2,(H2,23,26)
InChIKey
PBIFUEVXWGITSK-UHFFFAOYSA-N
Compound name
4-[[(5-fluoro-2-hydroxyphenyl)-naphthalen-1-ylmethylidene]amino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.14307 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15035 182.9
[M+Na]+ 373.13229 188.7
[M-H]- 349.13579 188.2
[M+NH4]+ 368.17689 195.7
[M+K]+ 389.10623 182.9
[M+H-H2O]+ 333.14033 172.9
[M+HCOO]- 395.14127 203.6
[M+CH3COO]- 409.15692 219.9
[M+Na-2H]- 371.11774 185.1
[M]+ 350.14252 181.0
[M]- 350.14362 181.0
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.