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]+ 379.165236 189.7
[M+Na]+ 401.147178 193.3
[M-H]- 377.150684 196.4
[M+NH4]+ 396.191783 201.1
[M+K]+ 417.121118 190.3
[M+H-H2O]+ 361.155220 180.0
[M+HCOO]- 423.156161 211.1
[M+CH3COO]- 437.171811 223.5
[M+Na-2H]- 399.132626 192.8
[M]+ 378.15741142 191.6
[M]- 378.15850858 191.6
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.