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 189.6
[M+Na]+ 400.16317 192.5
[M-H]- 376.16667 195.7
[M+NH4]+ 395.20777 200.4
[M+K]+ 416.13711 188.6
[M+H-H2O]+ 360.17121 179.9
[M+HCOO]- 422.17215 211.2
[M+CH3COO]- 436.18780 226.8
[M+Na-2H]- 398.14862 192.2
[M]+ 377.17340 188.6
[M]- 377.17450 188.6
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.