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]+ 404.160476 195.1
[M+Na]+ 426.142418 200.2
[M-H]- 402.145924 201.5
[M+NH4]+ 421.187023 201.5
[M+K]+ 442.116358 198.5
[M+H-H2O]+ 386.150460 180.8
[M+HCOO]- 448.151401 209.1
[M+CH3COO]- 462.167051 203.0
[M+Na-2H]- 424.127866 194.0
[M]+ 403.15265142 205.6
[M]- 403.15374858 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.