CID 3046779

Brn 2400616

Structural Information

Molecular Formula
C22H25FN2O2
SMILES
C1CCC(C1)NC(=O)CCCN=C(C2=CC=CC=C2)C3=C(C=CC(=C3)F)O
InChI
InChI=1S/C22H25FN2O2/c23-17-12-13-20(26)19(15-17)22(16-7-2-1-3-8-16)24-14-6-11-21(27)25-18-9-4-5-10-18/h1-3,7-8,12-13,15,18,26H,4-6,9-11,14H2,(H,25,27)
InChIKey
BMSGYWZIZDVAGF-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.19 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19728 188.9
[M+Na]+ 391.17922 191.1
[M-H]- 367.18272 196.1
[M+NH4]+ 386.22382 201.4
[M+K]+ 407.15316 185.9
[M+H-H2O]+ 351.18726 178.6
[M+HCOO]- 413.18820 209.6
[M+CH3COO]- 427.20385 220.2
[M+Na-2H]- 389.16467 187.2
[M]+ 368.18945 184.4
[M]- 368.19055 184.4
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.