CID 164517350

2-(7-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-4,5,6,7-tetrahydro-2h-indazol-2-yl)acetic acid

Structural Information

Molecular Formula
C24H23N3O4
SMILES
C1CC(C2=NN(C=C2C1)CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H23N3O4/c28-22(29)13-27-12-15-6-5-11-21(23(15)26-27)25-24(30)31-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,12,20-21H,5-6,11,13-14H2,(H,25,30)(H,28,29)
InChIKey
TUXGTOQDFYAQHK-UHFFFAOYSA-N
Compound name
2-[7-(9H-fluoren-9-ylmethoxycarbonylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.16885 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17613 196.4
[M+Na]+ 440.15807 201.4
[M-H]- 416.16157 201.8
[M+NH4]+ 435.20267 208.9
[M+K]+ 456.13201 196.1
[M+H-H2O]+ 400.16611 187.7
[M+HCOO]- 462.16705 211.0
[M+CH3COO]- 476.18270 204.3
[M+Na-2H]- 438.14352 196.0
[M]+ 417.16830 196.9
[M]- 417.16940 196.9
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.