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]+ 389.149576 191.8
[M+Na]+ 411.131518 198.5
[M-H]- 387.135024 197.9
[M+NH4]+ 406.176123 204.4
[M+K]+ 427.105458 193.3
[M+H-H2O]+ 371.139560 182.9
[M+HCOO]- 433.140501 210.5
[M+CH3COO]- 447.156151 221.5
[M+Na-2H]- 409.116966 193.8
[M]+ 388.14175142 194.6
[M]- 388.14284858 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.