CID 132345799

2137550-39-9

Structural Information

Molecular Formula
C23H20N2O4
SMILES
CC1=C(C=CC(=N1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H20N2O4/c1-14-16(22(26)27)11-10-15(25-14)12-24-23(28)29-13-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-11,21H,12-13H2,1H3,(H,24,28)(H,26,27)
InChIKey
NGJGPRHTBZIUAQ-UHFFFAOYSA-N
Compound name
6-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1423 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14958 191.8
[M+Na]+ 411.13152 198.5
[M-H]- 387.13502 197.9
[M+NH4]+ 406.17612 204.4
[M+K]+ 427.10546 193.3
[M+H-H2O]+ 371.13956 182.9
[M+HCOO]- 433.14050 210.5
[M+CH3COO]- 447.15615 221.5
[M+Na-2H]- 409.11697 193.8
[M]+ 388.14175 194.6
[M]- 388.14285 194.6
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.