CID 7018838

168914-50-9

Structural Information

Molecular Formula
C22H23N3O3
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CN
InChI
InChI=1S/C22H23N3O3/c1-28-20-13-17(12-16-9-5-6-10-18(16)20)24-22(27)19(25-21(26)14-23)11-15-7-3-2-4-8-15/h2-10,12-13,19H,11,14,23H2,1H3,(H,24,27)(H,25,26)/t19-/m0/s1
InChIKey
GJVRHCRRRKUAQU-IBGZPJMESA-N
Compound name
(2S)-2-[(2-aminoacetyl)amino]-N-(4-methoxynaphthalen-2-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.17395 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18123 191.7
[M+Na]+ 400.16317 202.1
[M+NH4]+ 395.20777 197.8
[M+K]+ 416.13711 195.5
[M-H]- 376.16667 196.7
[M+Na-2H]- 398.14862 198.2
[M]+ 377.17340 194.3
[M]- 377.17450 194.3
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.