CID 3071633

1-pyrrolidineacetamide, n-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-oxo-

Structural Information

Molecular Formula
C19H22N2O3
SMILES
COC1=CC2=C(C=CC=C2CCNC(=O)CN3CCCC3=O)C=C1
InChI
InChI=1S/C19H22N2O3/c1-24-16-8-7-14-4-2-5-15(17(14)12-16)9-10-20-18(22)13-21-11-3-6-19(21)23/h2,4-5,7-8,12H,3,6,9-11,13H2,1H3,(H,20,22)
InChIKey
SCEQZMXPNMSSRD-UHFFFAOYSA-N
Compound name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

326.16306 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 177.4
[M+Na]+ 349.15228 182.8
[M-H]- 325.15578 183.0
[M+NH4]+ 344.19688 192.3
[M+K]+ 365.12622 178.5
[M+H-H2O]+ 309.16032 168.6
[M+HCOO]- 371.16126 197.4
[M+CH3COO]- 385.17691 211.0
[M+Na-2H]- 347.13773 178.5
[M]+ 326.16251 177.9
[M]- 326.16361 177.9
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