CID 81690977

5-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C21H16N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CN=C(C=C4)C(=O)O
InChI
InChI=1S/C21H16N2O4/c24-20(25)19-10-9-13(11-22-19)23-21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18H,12H2,(H,23,26)(H,24,25)
InChIKey
OQKDNOCZLHVQSV-UHFFFAOYSA-N
Compound name
5-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.111 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11828 183.9
[M+Na]+ 383.10022 196.7
[M+NH4]+ 378.14482 190.8
[M+K]+ 399.07416 191.8
[M-H]- 359.10372 187.4
[M+Na-2H]- 381.08567 189.9
[M]+ 360.11045 186.5
[M]- 360.11155 186.5
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.