CID 24729665

494210-71-8

Structural Information

Molecular Formula
C22H18N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C4=CN=CC=C4)C(=O)O
InChI
InChI=1S/C22H18N2O4/c25-21(26)20(14-6-5-11-23-12-14)24-22(27)28-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19-20H,13H2,(H,24,27)(H,25,26)
InChIKey
MVIRKKKVCROOQJ-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

374.12665 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13393 187.5
[M+Na]+ 397.11587 199.4
[M+NH4]+ 392.16047 194.2
[M+K]+ 413.08981 194.9
[M-H]- 373.11937 190.8
[M+Na-2H]- 395.10132 193.3
[M]+ 374.12610 189.9
[M]- 374.12720 189.9
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

patents stripe