CID 206100

Xanthen-9-one, 4-methoxy-3-pyrrolidinylmethyl-, hydrochloride

Structural Information

Molecular Formula
C19H19NO3
SMILES
COC1=C(C=CC2=C1OC3=CC=CC=C3C2=O)CN4CCCC4
InChI
InChI=1S/C19H19NO3/c1-22-18-13(12-20-10-4-5-11-20)8-9-15-17(21)14-6-2-3-7-16(14)23-19(15)18/h2-3,6-9H,4-5,10-12H2,1H3
InChIKey
ITNOHTXNZPDWTL-UHFFFAOYSA-N
Compound name
4-methoxy-3-(pyrrolidin-1-ylmethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1365 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 170.3
[M+Na]+ 332.12572 180.2
[M-H]- 308.12922 178.6
[M+NH4]+ 327.17032 186.4
[M+K]+ 348.09966 176.1
[M+H-H2O]+ 292.13376 161.9
[M+HCOO]- 354.13470 190.2
[M+CH3COO]- 368.15035 182.6
[M+Na-2H]- 330.11117 175.4
[M]+ 309.13595 174.0
[M]- 309.13705 174.0
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.