CID 66616918

3-(dibenzylamino)oxetane-3-carboxylic acid

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1C(CO1)(C(=O)O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H19NO3/c20-17(21)18(13-22-14-18)19(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,21)
InChIKey
QNOUEIQUQKMHGK-UHFFFAOYSA-N
Compound name
3-(dibenzylamino)oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

297.1365 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 168.7
[M+Na]+ 320.125718 171.4
[M-H]- 296.129224 177.9
[M+NH4]+ 315.170323 176.6
[M+K]+ 336.099658 173.5
[M+H-H2O]+ 280.133760 154.8
[M+HCOO]- 342.134701 188.6
[M+CH3COO]- 356.150351 206.5
[M+Na-2H]- 318.111166 173.7
[M]+ 297.13595142 177.2
[M]- 297.13704858 177.2
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