CID 137964506

2225144-59-0

Structural Information

Molecular Formula
C23H21N3O4
SMILES
CN1C2=C(C=N1)C(N(CC2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C23H21N3O4/c1-25-20-10-11-26(21(22(27)28)18(20)12-24-25)23(29)30-13-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-9,12,19,21H,10-11,13H2,1H3,(H,27,28)
InChIKey
UAYPBQDAALYDDL-UHFFFAOYSA-N
Compound name
5-(9H-fluoren-9-ylmethoxycarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1532 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.160476 196.4
[M+Na]+ 426.142418 203.5
[M-H]- 402.145924 201.1
[M+NH4]+ 421.187023 208.6
[M+K]+ 442.116358 198.1
[M+H-H2O]+ 386.150460 187.3
[M+HCOO]- 448.151401 208.8
[M+CH3COO]- 462.167051 204.7
[M+Na-2H]- 424.127866 194.3
[M]+ 403.15265142 198.0
[M]- 403.15374858 198.0
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.