CID 132342257

2138409-62-6

Structural Information

Molecular Formula
C23H21N3O4
SMILES
C1CC(C2=CC(=NN2C1)C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H21N3O4/c27-22(28)20-12-21-19(10-5-11-26(21)25-20)24-23(29)30-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,12,18-19H,5,10-11,13H2,(H,24,29)(H,27,28)
InChIKey
OZIJFSBLXJCGLV-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1532 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16048 192.0
[M+Na]+ 426.14242 197.4
[M-H]- 402.14592 197.6
[M+NH4]+ 421.18702 205.1
[M+K]+ 442.11636 192.3
[M+H-H2O]+ 386.15046 183.5
[M+HCOO]- 448.15140 207.0
[M+CH3COO]- 462.16705 200.4
[M+Na-2H]- 424.12787 192.1
[M]+ 403.15265 192.3
[M]- 403.15375 192.3
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.