CID 20775022

476362-73-9

Structural Information

Molecular Formula
C22H18N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=NC=C(C=C4)C(=O)O
InChI
InChI=1S/C22H18N2O4/c25-21(26)14-9-10-15(23-11-14)12-24-22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-11,20H,12-13H2,(H,24,27)(H,25,26)
InChIKey
LDAOBMSLXQGAGP-UHFFFAOYSA-N
Compound name
6-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.12665 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13393 188.4
[M+Na]+ 397.11587 201.0
[M+NH4]+ 392.16047 195.1
[M+K]+ 413.08981 195.8
[M-H]- 373.11937 191.9
[M+Na-2H]- 395.10132 194.2
[M]+ 374.12610 191.0
[M]- 374.12720 191.0
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