CID 355705

Nsc609812

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CC1=C(C(=O)C2=CC=CC=C2O1)CN3CCN(CC3)C4=CC=CC=N4
InChI
InChI=1S/C20H21N3O2/c1-15-17(20(24)16-6-2-3-7-18(16)25-15)14-22-10-12-23(13-11-22)19-8-4-5-9-21-19/h2-9H,10-14H2,1H3
InChIKey
TYKRNLKNDDQARF-UHFFFAOYSA-N
Compound name
2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 182.9
[M+Na]+ 358.15262 190.3
[M-H]- 334.15612 189.3
[M+NH4]+ 353.19722 191.3
[M+K]+ 374.12656 184.9
[M+H-H2O]+ 318.16066 170.3
[M+HCOO]- 380.16160 197.1
[M+CH3COO]- 394.17725 191.9
[M+Na-2H]- 356.13807 187.2
[M]+ 335.16285 181.1
[M]- 335.16395 181.1
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.