CID 7408184

100930-07-2

Structural Information

Molecular Formula
C16H18N2O2
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3
InChI
InChI=1S/C16H18N2O2/c1-20-15-10-12(9-11-5-2-3-6-13(11)15)18-16(19)14-7-4-8-17-14/h2-3,5-6,9-10,14,17H,4,7-8H2,1H3,(H,18,19)/t14-/m0/s1
InChIKey
MOERTZHMSVIRNL-AWEZNQCLSA-N
Compound name
(2S)-N-(4-methoxynaphthalen-2-yl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

270.13684 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 163.2
[M+Na]+ 293.12606 174.3
[M+NH4]+ 288.17066 171.2
[M+K]+ 309.10000 169.4
[M-H]- 269.12956 166.6
[M+Na-2H]- 291.11151 169.0
[M]+ 270.13629 165.5
[M]- 270.13739 165.5
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

patents stripe