CID 3046784

Brn 2308441

Structural Information

Molecular Formula
C21H23FN2O2
SMILES
C1CC(C1)NC(=O)CCCN=C(C2=CC=CC=C2)C3=C(C=CC(=C3)F)O
InChI
InChI=1S/C21H23FN2O2/c22-16-11-12-19(25)18(14-16)21(15-6-2-1-3-7-15)23-13-5-10-20(26)24-17-8-4-9-17/h1-3,6-7,11-12,14,17,25H,4-5,8-10,13H2,(H,24,26)
InChIKey
QKXMWNBNIZRGPK-UHFFFAOYSA-N
Compound name
N-cyclobutyl-4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.17435 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18163 187.0
[M+Na]+ 377.16357 188.6
[M-H]- 353.16707 193.7
[M+NH4]+ 372.20817 191.9
[M+K]+ 393.13751 187.3
[M+H-H2O]+ 337.17161 170.3
[M+HCOO]- 399.17255 206.5
[M+CH3COO]- 413.18820 221.2
[M+Na-2H]- 375.14902 186.7
[M]+ 354.17380 192.2
[M]- 354.17490 192.2
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.