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

58
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

literature stripe

Patent stripe

patents stripe