CID 11566004

3-(4-methylpiperazine-1-carbonyl)xanthen-9-one

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C19H18N2O3/c1-20-8-10-21(11-9-20)19(23)13-6-7-15-17(12-13)24-16-5-3-2-4-14(16)18(15)22/h2-7,12H,8-11H2,1H3
InChIKey
VNKRPMUVDHMTSO-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazine-1-carbonyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.13174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 174.8
[M+Na]+ 345.120958 183.6
[M-H]- 321.124464 181.1
[M+NH4]+ 340.165563 186.6
[M+K]+ 361.094898 179.3
[M+H-H2O]+ 305.129000 164.2
[M+HCOO]- 367.129941 190.1
[M+CH3COO]- 381.145591 185.2
[M+Na-2H]- 343.106406 180.6
[M]+ 322.13119142 175.2
[M]- 322.13228858 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.