CID 132284602

1823652-01-2

Structural Information

Molecular Formula
C24H22N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(CC4=CC=NC=C4)C(=O)O
InChI
InChI=1S/C24H22N2O4/c27-23(28)17(13-16-9-11-25-12-10-16)14-26-24(29)30-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,17,22H,13-15H2,(H,26,29)(H,27,28)
InChIKey
GHMLGGDNHSFPRJ-UHFFFAOYSA-N
Compound name
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-pyridin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.15796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.165236 195.2
[M+Na]+ 425.147178 199.1
[M-H]- 401.150684 200.3
[M+NH4]+ 420.191783 206.4
[M+K]+ 441.121118 194.3
[M+H-H2O]+ 385.155220 185.8
[M+HCOO]- 447.156161 212.5
[M+CH3COO]- 461.171811 222.7
[M+Na-2H]- 423.132626 196.9
[M]+ 402.15741142 196.8
[M]- 402.15850858 196.8
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.