CID 2759842

Methyl 1-(diphenylmethyl)azetidine-3-carboxylate

Structural Information

Molecular Formula
C18H19NO2
SMILES
COC(=O)C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO2/c1-21-18(20)16-12-19(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKey
CNJNDJUSCWVDNF-UHFFFAOYSA-N
Compound name
methyl 1-benzhydrylazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

281.14157 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 163.9
[M+Na]+ 304.13079 167.8
[M-H]- 280.13429 171.1
[M+NH4]+ 299.17539 171.2
[M+K]+ 320.10473 167.7
[M+H-H2O]+ 264.13883 149.2
[M+HCOO]- 326.13977 182.4
[M+CH3COO]- 340.15542 203.1
[M+Na-2H]- 302.11624 166.4
[M]+ 281.14102 171.6
[M]- 281.14212 171.6
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

patents stripe