CID 165889149

Rac-(2r,3s)-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-3-methylazetidine-2-carboxylic acid

Structural Information

Molecular Formula
C20H19NO4
SMILES
C[C@@H]1CN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H19NO4/c1-12-10-21(18(12)19(22)23)20(24)25-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18H,10-11H2,1H3,(H,22,23)/t12-,18+/m1/s1
InChIKey
OTDFSTKXUDDEDM-XIKOKIGWSA-N
Compound name
(2S,3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-methylazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.1314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 178.2
[M+Na]+ 360.12062 185.6
[M+NH4]+ 355.16522 181.2
[M+K]+ 376.09456 183.3
[M-H]- 336.12412 177.4
[M+Na-2H]- 358.10607 179.0
[M]+ 337.13085 177.6
[M]- 337.13195 177.6
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