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

19
Patents

297.1365 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 168.7
[M+Na]+ 320.12572 171.4
[M-H]- 296.12922 177.9
[M+NH4]+ 315.17032 176.6
[M+K]+ 336.09966 173.5
[M+H-H2O]+ 280.13376 154.8
[M+HCOO]- 342.13470 188.6
[M+CH3COO]- 356.15035 206.5
[M+Na-2H]- 318.11117 173.7
[M]+ 297.13595 177.2
[M]- 297.13705 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