CID 3046781

Brn 2402317

Structural Information

Molecular Formula
C24H23FN2O2
SMILES
C1=CC=C(C=C1)CNC(=O)CCCN=C(C2=CC=CC=C2)C3=C(C=CC(=C3)F)O
InChI
InChI=1S/C24H23FN2O2/c25-20-13-14-22(28)21(16-20)24(19-10-5-2-6-11-19)26-15-7-12-23(29)27-17-18-8-3-1-4-9-18/h1-6,8-11,13-14,16,28H,7,12,15,17H2,(H,27,29)
InChIKey
FBQLLQLHQIMWQI-UHFFFAOYSA-N
Compound name
N-benzyl-4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.17435 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.18163 195.1
[M+Na]+ 413.16357 198.5
[M-H]- 389.16707 202.3
[M+NH4]+ 408.20817 204.7
[M+K]+ 429.13751 192.4
[M+H-H2O]+ 373.17161 183.5
[M+HCOO]- 435.17255 216.9
[M+CH3COO]- 449.18820 225.6
[M+Na-2H]- 411.14902 196.6
[M]+ 390.17380 193.2
[M]- 390.17490 193.2
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.