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 175.9
[M+Na]+ 361.11587 182.2
[M-H]- 337.11937 183.2
[M+NH4]+ 356.16047 187.2
[M+K]+ 377.08981 174.2
[M+H-H2O]+ 321.12391 169.9
[M+HCOO]- 383.12485 193.9
[M+CH3COO]- 397.14050 206.1
[M+Na-2H]- 359.10132 184.4
[M]+ 338.12610 174.4
[M]- 338.12720 174.4
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.