CID 132992791

2138357-77-2

Structural Information

Molecular Formula
C24H21N3O4
SMILES
C1C(CN1C2=NC=C(C=C2)C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H21N3O4/c28-23(29)15-9-10-22(25-11-15)27-12-16(13-27)26-24(30)31-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-11,16,21H,12-14H2,(H,26,30)(H,28,29)
InChIKey
OMSDOIVCJKABEI-UHFFFAOYSA-N
Compound name
6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidin-1-yl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1532 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.160476 196.7
[M+Na]+ 438.142418 200.4
[M-H]- 414.145924 203.5
[M+NH4]+ 433.187023 199.8
[M+K]+ 454.116358 198.8
[M+H-H2O]+ 398.150460 180.6
[M+HCOO]- 460.151401 211.5
[M+CH3COO]- 474.167051 203.9
[M+Na-2H]- 436.127866 197.2
[M]+ 415.15265142 205.6
[M]- 415.15374858 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.