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[4,3-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]+ 404.16048 196.4
[M+Na]+ 426.14242 203.5
[M-H]- 402.14592 201.1
[M+NH4]+ 421.18702 208.6
[M+K]+ 442.11636 198.1
[M+H-H2O]+ 386.15046 187.3
[M+HCOO]- 448.15140 208.8
[M+CH3COO]- 462.16705 204.7
[M+Na-2H]- 424.12787 194.3
[M]+ 403.15265 198.0
[M]- 403.15375 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.