CID 3068795

Brn 4578191

Structural Information

Molecular Formula
C21H22N2O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3
InChI
InChI=1S/C21H22N2O3/c1-25-20-9-5-3-7-18(20)22-10-12-23(13-11-22)21(24)17-14-16-6-2-4-8-19(16)26-15-17/h2-9,14H,10-13,15H2,1H3
InChIKey
WEKAEELBZLUKMK-UHFFFAOYSA-N
Compound name
2H-chromen-3-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16306 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 184.7
[M+Na]+ 373.15228 189.2
[M-H]- 349.15578 191.7
[M+NH4]+ 368.19688 193.4
[M+K]+ 389.12622 185.5
[M+H-H2O]+ 333.16032 172.7
[M+HCOO]- 395.16126 197.8
[M+CH3COO]- 409.17691 193.0
[M+Na-2H]- 371.13773 187.4
[M]+ 350.16251 181.7
[M]- 350.16361 181.7
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.