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]+ 386.16298 192.4
[M+Na]+ 408.14492 196.0
[M-H]- 384.14842 198.6
[M+NH4]+ 403.18952 200.3
[M+K]+ 424.11886 190.4
[M+H-H2O]+ 368.15296 180.8
[M+HCOO]- 430.15390 200.4
[M+CH3COO]- 444.16955 199.4
[M+Na-2H]- 406.13037 194.3
[M]+ 385.15515 188.5
[M]- 385.15625 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.