CID 124297656

258332-50-2

Structural Information

Molecular Formula
C23H20N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N(CC4=CC=CC=N4)CC(=O)O
InChI
InChI=1S/C23H20N2O4/c26-22(27)14-25(13-16-7-5-6-12-24-16)23(28)29-15-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21H,13-15H2,(H,26,27)
InChIKey
UUENHVNJMHJPGE-UHFFFAOYSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl(pyridin-2-ylmethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1423 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.149576 191.3
[M+Na]+ 411.131518 196.2
[M-H]- 387.135024 198.0
[M+NH4]+ 406.176123 203.8
[M+K]+ 427.105458 192.2
[M+H-H2O]+ 371.139560 181.7
[M+HCOO]- 433.140501 210.4
[M+CH3COO]- 447.156151 222.1
[M+Na-2H]- 409.116966 193.8
[M]+ 388.14175142 194.3
[M]- 388.14284858 194.3
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.