CID 3046776

Brn 2299145

Structural Information

Molecular Formula
C17H17FN2O2
SMILES
C1=CC=C(C=C1)C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C17H17FN2O2/c18-13-8-9-15(21)14(11-13)17(12-5-2-1-3-6-12)20-10-4-7-16(19)22/h1-3,5-6,8-9,11,21H,4,7,10H2,(H2,19,22)
InChIKey
JSGXBFVLQQNTLA-UHFFFAOYSA-N
Compound name
4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1274 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.134676 169.8
[M+Na]+ 323.116618 175.2
[M-H]- 299.120124 174.4
[M+NH4]+ 318.161223 183.6
[M+K]+ 339.090558 170.7
[M+H-H2O]+ 283.124660 160.4
[M+HCOO]- 345.125601 192.3
[M+CH3COO]- 359.141251 208.9
[M+Na-2H]- 321.102066 171.4
[M]+ 300.12685142 167.3
[M]- 300.12794858 167.3
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.