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 186.1
[M+Na]+ 397.11587 191.0
[M-H]- 373.11937 191.7
[M+NH4]+ 392.16047 198.5
[M+K]+ 413.08981 186.6
[M+H-H2O]+ 357.12391 177.1
[M+HCOO]- 419.12485 204.1
[M+CH3COO]- 433.14050 195.1
[M+Na-2H]- 395.10132 188.9
[M]+ 374.12610 187.1
[M]- 374.12720 187.1
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