CID 7020242

201982-94-7

Structural Information

Molecular Formula
C22H22N2O4
SMILES
C[C@@H](C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C22H22N2O4/c1-15(23-22(26)28-14-16-8-4-3-5-9-16)21(25)24-18-12-17-10-6-7-11-19(17)20(13-18)27-2/h3-13,15H,14H2,1-2H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKey
DQORNHPLFMGYMF-HNNXBMFYSA-N
Compound name
benzyl N-[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.15796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16524 190.6
[M+Na]+ 401.14718 202.1
[M+NH4]+ 396.19178 196.9
[M+K]+ 417.12112 195.5
[M-H]- 377.15068 195.1
[M+Na-2H]- 399.13263 197.5
[M]+ 378.15741 193.3
[M]- 378.15851 193.3
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

No patent data available for this compound.