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]+ 349.154676 182.0
[M+Na]+ 371.136618 185.4
[M-H]- 347.140124 188.6
[M+NH4]+ 366.181223 194.5
[M+K]+ 387.110558 181.8
[M+H-H2O]+ 331.144660 172.6
[M+HCOO]- 393.145601 203.7
[M+CH3COO]- 407.161251 217.1
[M+Na-2H]- 369.122066 186.3
[M]+ 348.14685142 181.9
[M]- 348.14794858 181.9
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.