CID 131287908

2091633-90-6

Structural Information

Molecular Formula
C22H19N3O4
SMILES
C1CN(CC2=C1NN=C2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H19N3O4/c26-21(27)20-17-11-25(10-9-19(17)23-24-20)22(28)29-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,18H,9-12H2,(H,23,24)(H,26,27)
InChIKey
VIUZOZMWQBYEQX-UHFFFAOYSA-N
Compound name
5-(9H-fluoren-9-ylmethoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.13754 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14482 192.0
[M+Na]+ 412.12676 203.4
[M+NH4]+ 407.17136 198.1
[M+K]+ 428.10070 201.4
[M-H]- 388.13026 193.2
[M+Na-2H]- 410.11221 194.1
[M]+ 389.13699 193.6
[M]- 389.13809 193.6
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.