CID 206216

43159-93-9

Structural Information

Molecular Formula
C19H18N2O4
SMILES
C1CCN(CC1)CC2=C(C=CC3=C2OC4=CC=CC=C4C3=O)[N+](=O)[O-]
InChI
InChI=1S/C19H18N2O4/c22-18-13-6-2-3-7-17(13)25-19-14(18)8-9-16(21(23)24)15(19)12-20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-12H2
InChIKey
KTGCDTPTMFJEEC-UHFFFAOYSA-N
Compound name
3-nitro-4-(piperidin-1-ylmethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.12665 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 174.9
[M+Na]+ 361.11587 191.9
[M+NH4]+ 356.16047 183.5
[M+K]+ 377.08981 186.1
[M-H]- 337.11937 182.7
[M+Na-2H]- 359.10132 182.2
[M]+ 338.12610 179.6
[M]- 338.12720 179.6
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.