CID 97046781

874836-35-8

Structural Information

Molecular Formula
C23H21NO3
SMILES
C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC=CC=C4C(=O)O
InChI
InChI=1S/C23H21NO3/c25-23(26)20-13-7-8-14-21(20)27-19-15-24(16-19)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19,22H,15-16H2,(H,25,26)
InChIKey
WKMBCZCFTJSQMN-UHFFFAOYSA-N
Compound name
2-(1-benzhydrylazetidin-3-yl)oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.15213 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15941 183.2
[M+Na]+ 382.14135 186.1
[M-H]- 358.14485 191.7
[M+NH4]+ 377.18595 186.0
[M+K]+ 398.11529 184.5
[M+H-H2O]+ 342.14939 166.7
[M+HCOO]- 404.15033 199.6
[M+CH3COO]- 418.16598 215.2
[M+Na-2H]- 380.12680 184.2
[M]+ 359.15158 189.6
[M]- 359.15268 189.6
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.