CID 9929250

Schembl5534029

Structural Information

Molecular Formula
C22H27NO4
SMILES
CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3O)O
InChI
InChI=1S/C22H27NO4/c1-23(2)15-17-8-5-6-13-22(17,26)16-9-7-10-18(14-16)27-21(25)19-11-3-4-12-20(19)24/h3-4,7,9-12,14,17,24,26H,5-6,8,13,15H2,1-2H3
InChIKey
OLXCPJRIWXIFTH-UHFFFAOYSA-N
Compound name
[3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl] 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

369.194 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 189.4
[M+Na]+ 392.18322 192.4
[M-H]- 368.18672 196.8
[M+NH4]+ 387.22782 201.8
[M+K]+ 408.15716 189.5
[M+H-H2O]+ 352.19126 180.4
[M+HCOO]- 414.19220 206.4
[M+CH3COO]- 428.20785 217.2
[M+Na-2H]- 390.16867 189.5
[M]+ 369.19345 186.9
[M]- 369.19455 186.9
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.