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 186.6
[M+Na]+ 397.11587 192.8
[M-H]- 373.11937 192.5
[M+NH4]+ 392.16047 199.4
[M+K]+ 413.08981 187.7
[M+H-H2O]+ 357.12391 177.6
[M+HCOO]- 419.12485 205.6
[M+CH3COO]- 433.14050 196.0
[M+Na-2H]- 395.10132 189.8
[M]+ 374.12610 188.6
[M]- 374.12720 188.6
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

patents stripe