CID 45851295

2-[4-(3-chlorophenyl)piperazin-1-yl]-n-(3,4-dihydro-2h-1-benzopyran-4-yl)acetamide

Structural Information

Molecular Formula
C21H24ClN3O2
SMILES
C1COC2=CC=CC=C2C1NC(=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C21H24ClN3O2/c22-16-4-3-5-17(14-16)25-11-9-24(10-12-25)15-21(26)23-19-8-13-27-20-7-2-1-6-18(19)20/h1-7,14,19H,8-13,15H2,(H,23,26)
InChIKey
RLMBGGUMTXIECB-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1557 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.162976 192.4
[M+Na]+ 408.144918 196.0
[M-H]- 384.148424 198.6
[M+NH4]+ 403.189523 200.3
[M+K]+ 424.118858 190.4
[M+H-H2O]+ 368.152960 180.8
[M+HCOO]- 430.153901 200.4
[M+CH3COO]- 444.169551 199.4
[M+Na-2H]- 406.130366 194.3
[M]+ 385.15515142 188.5
[M]- 385.15624858 188.5
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.