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]+ 375.170336 189.2
[M+Na]+ 397.152278 192.8
[M-H]- 373.155784 197.5
[M+NH4]+ 392.196883 201.1
[M+K]+ 413.126218 187.9
[M+H-H2O]+ 357.160320 179.0
[M+HCOO]- 419.161261 208.0
[M+CH3COO]- 433.176911 198.0
[M+Na-2H]- 395.137726 190.1
[M]+ 374.16251142 187.2
[M]- 374.16360858 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