CID 165881195

2-(1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-3-(1h-imidazol-1-yl)azetidin-3-yl)acetic acid

Structural Information

Molecular Formula
C23H21N3O4
SMILES
C1C(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)(CC(=O)O)N5C=CN=C5
InChI
InChI=1S/C23H21N3O4/c27-21(28)11-23(26-10-9-24-15-26)13-25(14-23)22(29)30-12-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,15,20H,11-14H2,(H,27,28)
InChIKey
UZUWAIJMJIQZAG-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-imidazol-1-ylazetidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1532 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16048 193.2
[M+Na]+ 426.14242 200.3
[M+NH4]+ 421.18702 196.4
[M+K]+ 442.11636 198.1
[M-H]- 402.14592 192.7
[M+Na-2H]- 424.12787 196.4
[M]+ 403.15265 192.8
[M]- 403.15375 192.8
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.