CID 5194404

100929-90-6

Structural Information

Molecular Formula
C18H21N3O3
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)C3CCCN3C(=O)CN
InChI
InChI=1S/C18H21N3O3/c1-24-16-10-13(9-12-5-2-3-6-14(12)16)20-18(23)15-7-4-8-21(15)17(22)11-19/h2-3,5-6,9-10,15H,4,7-8,11,19H2,1H3,(H,20,23)
InChIKey
LSZPYDQEJZWJIJ-UHFFFAOYSA-N
Compound name
1-(2-aminoacetyl)-N-(4-methoxynaphthalen-2-yl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

327.1583 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.165576 176.4
[M+Na]+ 350.147518 181.1
[M-H]- 326.151024 181.8
[M+NH4]+ 345.192123 190.7
[M+K]+ 366.121458 177.5
[M+H-H2O]+ 310.155560 167.9
[M+HCOO]- 372.156501 196.2
[M+CH3COO]- 386.172151 213.0
[M+Na-2H]- 348.132966 176.7
[M]+ 327.15775142 174.4
[M]- 327.15884858 174.4
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