CID 3046780

Brn 2400643

Structural Information

Molecular Formula
C23H21FN2O2
SMILES
C1=CC=C(C=C1)C(=NCCCC(=O)NC2=CC=CC=C2)C3=C(C=CC(=C3)F)O
InChI
InChI=1S/C23H21FN2O2/c24-18-13-14-21(27)20(16-18)23(17-8-3-1-4-9-17)25-15-7-12-22(28)26-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,27H,7,12,15H2,(H,26,28)
InChIKey
LCSDMBGOWKRUST-UHFFFAOYSA-N
Compound name
4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1587 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16598 190.6
[M+Na]+ 399.14792 194.5
[M-H]- 375.15142 198.1
[M+NH4]+ 394.19252 200.9
[M+K]+ 415.12186 188.6
[M+H-H2O]+ 359.15596 179.3
[M+HCOO]- 421.15690 212.8
[M+CH3COO]- 435.17255 222.7
[M+Na-2H]- 397.13337 192.7
[M]+ 376.15815 188.4
[M]- 376.15925 188.4
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.