CID 81091205

503471-24-7

Structural Information

Molecular Formula
C22H18N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=CN=C(C=C4)C(=O)O
InChI
InChI=1S/C22H18N2O4/c25-21(26)20-10-9-14(11-23-20)12-24-22(27)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19H,12-13H2,(H,24,27)(H,25,26)
InChIKey
DRKIKNOYHMQAQV-UHFFFAOYSA-N
Compound name
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.12665 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.133926 186.6
[M+Na]+ 397.115868 192.8
[M-H]- 373.119374 192.5
[M+NH4]+ 392.160473 199.4
[M+K]+ 413.089808 187.7
[M+H-H2O]+ 357.123910 177.6
[M+HCOO]- 419.124851 205.6
[M+CH3COO]- 433.140501 196.0
[M+Na-2H]- 395.101316 189.8
[M]+ 374.12610142 188.6
[M]- 374.12719858 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