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 195.1
[M+Na]+ 426.14242 200.2
[M-H]- 402.14592 201.5
[M+NH4]+ 421.18702 201.5
[M+K]+ 442.11636 198.5
[M+H-H2O]+ 386.15046 180.8
[M+HCOO]- 448.15140 209.1
[M+CH3COO]- 462.16705 203.0
[M+Na-2H]- 424.12787 194.0
[M]+ 403.15265 205.6
[M]- 403.15375 205.6
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.