CID 23659732

(s)-(+)-2-[4-(fluorobenzyloxy-benzylamino)propionamide]

Structural Information

Molecular Formula
C17H17FN2O2
SMILES
C[C@@H](C(=O)N)N=CC1=CC=C(C=C1)OCC2=CC(=CC=C2)F
InChI
InChI=1S/C17H17FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-10,12H,11H2,1H3,(H2,19,21)/t12-/m0/s1
InChIKey
RJJDIVMWGWHPFE-LBPRGKRZSA-N
Compound name
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

300.1274 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13468 169.8
[M+Na]+ 323.11662 175.6
[M-H]- 299.12012 175.8
[M+NH4]+ 318.16122 184.4
[M+K]+ 339.09056 172.0
[M+H-H2O]+ 283.12466 160.1
[M+HCOO]- 345.12560 193.8
[M+CH3COO]- 359.14125 211.3
[M+Na-2H]- 321.10207 171.9
[M]+ 300.12685 169.2
[M]- 300.12795 169.2
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.