CID 10109941

86925-99-7

Structural Information

Molecular Formula
C23H22N2O3
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C23H22N2O3/c26-22(24-20-13-12-18-9-4-5-10-19(18)15-20)21-11-6-14-25(21)23(27)28-16-17-7-2-1-3-8-17/h1-5,7-10,12-13,15,21H,6,11,14,16H2,(H,24,26)/t21-/m0/s1
InChIKey
JNQYOPCQZVPOCL-NRFANRHFSA-N
Compound name
benzyl (2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

374.16306 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.17034 189.2
[M+Na]+ 397.15228 192.8
[M-H]- 373.15578 197.5
[M+NH4]+ 392.19688 201.1
[M+K]+ 413.12622 187.9
[M+H-H2O]+ 357.16032 179.0
[M+HCOO]- 419.16126 208.0
[M+CH3COO]- 433.17691 198.0
[M+Na-2H]- 395.13773 190.1
[M]+ 374.16251 187.2
[M]- 374.16361 187.2
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

patents stripe