CID 206216

Xanthen-9-one, 3-nitro-4-piperidinomethyl-

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]+ 339.133926 175.9
[M+Na]+ 361.115868 182.2
[M-H]- 337.119374 183.2
[M+NH4]+ 356.160473 187.2
[M+K]+ 377.089808 174.2
[M+H-H2O]+ 321.123910 169.9
[M+HCOO]- 383.124851 193.9
[M+CH3COO]- 397.140501 206.1
[M+Na-2H]- 359.101316 184.4
[M]+ 338.12610142 174.4
[M]- 338.12719858 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.