CID 3161921

1093946-38-3

Structural Information

Molecular Formula
C17H18N2O3
SMILES
C1CN(C(C(=O)N1)CC(=O)O)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H18N2O3/c20-16(21)10-15-17(22)18-8-9-19(15)11-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,15H,8-11H2,(H,18,22)(H,20,21)
InChIKey
STFMMAZDBQEUDU-UHFFFAOYSA-N
Compound name
2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 170.5
[M+Na]+ 321.12096 182.9
[M+NH4]+ 316.16556 176.9
[M+K]+ 337.09490 176.4
[M-H]- 297.12446 172.4
[M+Na-2H]- 319.10641 175.4
[M]+ 298.13119 172.5
[M]- 298.13229 172.5
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

No patent data available for this compound.