CID 118703503

848949-86-0

Structural Information

Molecular Formula
C21H24FNO2
SMILES
CCOC(=O)[C@H](CC(C)(C)F)N=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H24FNO2/c1-4-25-20(24)18(15-21(2,3)22)23-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,4,15H2,1-3H3/t18-/m0/s1
InChIKey
ZRIOEWNMVJBSNR-SFHVURJKSA-N
Compound name
ethyl (2S)-2-(benzhydrylideneamino)-4-fluoro-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1791 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18638 183.7
[M+Na]+ 364.16832 187.0
[M-H]- 340.17182 189.2
[M+NH4]+ 359.21292 196.6
[M+K]+ 380.14226 183.8
[M+H-H2O]+ 324.17636 174.0
[M+HCOO]- 386.17730 203.3
[M+CH3COO]- 400.19295 217.0
[M+Na-2H]- 362.15377 185.3
[M]+ 341.17855 184.2
[M]- 341.17965 184.2
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.