CID 51062750

112982-78-2

Structural Information

Molecular Formula
C21H20N2O3
SMILES
C[C@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C21H20N2O3/c1-15(22-21(25)26-14-16-7-3-2-4-8-16)20(24)23-19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15H,14H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1
InChIKey
PTRXMEBOWZBSJT-OAHLLOKOSA-N
Compound name
benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1474 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15468 183.4
[M+Na]+ 371.13662 195.3
[M+NH4]+ 366.18122 190.5
[M+K]+ 387.11056 188.1
[M-H]- 347.14012 188.4
[M+Na-2H]- 369.12207 191.2
[M]+ 348.14685 186.3
[M]- 348.14795 186.3
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.