CID 63310266

2639462-41-0

Structural Information

Molecular Formula
C23H21N3O4
SMILES
C1CC(C1)(C2=NC=C(N2)C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H21N3O4/c27-20(28)19-12-24-21(25-19)23(10-5-11-23)26-22(29)30-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,12,18H,5,10-11,13H2,(H,24,25)(H,26,29)(H,27,28)
InChIKey
NEHZHTRJWKQNFS-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1532 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.160476 194.6
[M+Na]+ 426.142418 198.3
[M-H]- 402.145924 201.1
[M+NH4]+ 421.187023 201.3
[M+K]+ 442.116358 196.3
[M+H-H2O]+ 386.150460 181.0
[M+HCOO]- 448.151401 209.4
[M+CH3COO]- 462.167051 202.1
[M+Na-2H]- 424.127866 194.3
[M]+ 403.15265142 202.6
[M]- 403.15374858 202.6
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.