CID 81690977

1519937-82-6

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 182.0
[M+Na]+ 383.10022 188.7
[M-H]- 359.10372 188.1
[M+NH4]+ 378.14482 195.5
[M+K]+ 399.07416 183.9
[M+H-H2O]+ 343.10826 173.2
[M+HCOO]- 405.10920 201.4
[M+CH3COO]- 419.12485 191.9
[M+Na-2H]- 381.08567 185.8
[M]+ 360.11045 183.8
[M]- 360.11155 183.8
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.