CID 120593

Brn 2904971

Structural Information

Molecular Formula
C23H19NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)ON=C2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C23H19NO5/c1-26-19-12-14(13-20(27-2)22(19)28-3)23(25)29-24-21-17-10-6-4-8-15(17)16-9-5-7-11-18(16)21/h4-13H,1-3H3
InChIKey
PFLRYCWRRZNWHB-UHFFFAOYSA-N
Compound name
(fluoren-9-ylideneamino) 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1263 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13358 191.1
[M+Na]+ 412.11552 199.7
[M-H]- 388.11902 201.6
[M+NH4]+ 407.16012 206.7
[M+K]+ 428.08946 196.5
[M+H-H2O]+ 372.12356 182.2
[M+HCOO]- 434.12450 215.2
[M+CH3COO]- 448.14015 225.9
[M+Na-2H]- 410.10097 194.2
[M]+ 389.12575 199.3
[M]- 389.12685 199.3
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.