CID 3008805

Chembl57560

Structural Information

Molecular Formula
C25H21NO3
SMILES
C1=CC=C(C=C1)OCC2=CC=CC3=C2C=CC(=C3)NCC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C25H21NO3/c27-25(28)19-11-9-18(10-12-19)16-26-22-13-14-24-20(15-22)5-4-6-21(24)17-29-23-7-2-1-3-8-23/h1-15,26H,16-17H2,(H,27,28)
InChIKey
GXAKENZGOLSLFK-UHFFFAOYSA-N
Compound name
4-[[[5-(phenoxymethyl)naphthalen-2-yl]amino]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.15213 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15941 191.7
[M+Na]+ 406.14135 196.9
[M-H]- 382.14485 200.3
[M+NH4]+ 401.18595 202.2
[M+K]+ 422.11529 190.6
[M+H-H2O]+ 366.14939 181.1
[M+HCOO]- 428.15033 212.2
[M+CH3COO]- 442.16598 200.7
[M+Na-2H]- 404.12680 196.1
[M]+ 383.15158 191.8
[M]- 383.15268 191.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.