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]+ 301.13468 169.8
[M+Na]+ 323.11662 175.2
[M-H]- 299.12012 174.4
[M+NH4]+ 318.16122 183.6
[M+K]+ 339.09056 170.7
[M+H-H2O]+ 283.12466 160.4
[M+HCOO]- 345.12560 192.3
[M+CH3COO]- 359.14125 208.9
[M+Na-2H]- 321.10207 171.4
[M]+ 300.12685 167.3
[M]- 300.12795 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.