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]+ 295.14412 166.5
[M+Na]+ 317.12606 176.1
[M-H]- 293.12956 174.4
[M+NH4]+ 312.17066 182.7
[M+K]+ 333.10000 171.2
[M+H-H2O]+ 277.13410 158.2
[M+HCOO]- 339.13504 187.0
[M+CH3COO]- 353.15069 178.6
[M+Na-2H]- 315.11151 171.7
[M]+ 294.13629 167.0
[M]- 294.13739 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.