CID 165990865

En300-35529237

Structural Information

Molecular Formula
C25H18N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=NC5=C(C=C4)C=C(C=C5)C(=O)O
InChI
InChI=1S/C25H18N2O4/c28-24(29)16-9-11-22-15(13-16)10-12-23(26-22)27-25(30)31-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-13,21H,14H2,(H,28,29)(H,26,27,30)
InChIKey
SVDQVGHSZSJDER-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)quinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.12665 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.13393 194.7
[M+Na]+ 433.11587 201.4
[M-H]- 409.11937 201.6
[M+NH4]+ 428.16047 206.9
[M+K]+ 449.08981 195.5
[M+H-H2O]+ 393.12391 185.1
[M+HCOO]- 455.12485 212.1
[M+CH3COO]- 469.14050 203.6
[M+Na-2H]- 431.10132 198.5
[M]+ 410.12610 196.7
[M]- 410.12720 196.7
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.