CID 54784

81816-76-4

Structural Information

Molecular Formula
C21H26N2O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3CC4=C(C=CC(=C4)CO)OC3
InChI
InChI=1S/C21H26N2O3/c1-25-21-5-3-2-4-19(21)23-10-8-22(9-11-23)18-13-17-12-16(14-24)6-7-20(17)26-15-18/h2-7,12,18,24H,8-11,13-15H2,1H3
InChIKey
LCYSNXAEBUXUOZ-UHFFFAOYSA-N
Compound name
[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.201616 187.3
[M+Na]+ 377.183558 191.3
[M-H]- 353.187064 192.9
[M+NH4]+ 372.228163 195.5
[M+K]+ 393.157498 187.0
[M+H-H2O]+ 337.191600 175.6
[M+HCOO]- 399.192541 198.3
[M+CH3COO]- 413.208191 194.8
[M+Na-2H]- 375.169006 189.1
[M]+ 354.19379142 183.0
[M]- 354.19488858 183.0
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.