CID 206222

3-amino-4-pyrrolidinylmethylxanthen-9-one

Structural Information

Molecular Formula
C18H18N2O2
SMILES
C1CCN(C1)CC2=C(C=CC3=C2OC4=CC=CC=C4C3=O)N
InChI
InChI=1S/C18H18N2O2/c19-15-8-7-13-17(21)12-5-1-2-6-16(12)22-18(13)14(15)11-20-9-3-4-10-20/h1-2,5-8H,3-4,9-11,19H2
InChIKey
AYUBGEAOKHIPPZ-UHFFFAOYSA-N
Compound name
3-amino-4-(pyrrolidin-1-ylmethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 166.5
[M+Na]+ 317.126058 176.1
[M-H]- 293.129564 174.4
[M+NH4]+ 312.170663 182.7
[M+K]+ 333.099998 171.2
[M+H-H2O]+ 277.134100 158.2
[M+HCOO]- 339.135041 187.0
[M+CH3COO]- 353.150691 178.6
[M+Na-2H]- 315.111506 171.7
[M]+ 294.13629142 167.0
[M]- 294.13738858 167.0
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.