CID 206219

43159-96-2

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CN(C)CC1=C(C=CC2=C1OC3=CC=CC=C3C2=O)N
InChI
InChI=1S/C16H16N2O2/c1-18(2)9-12-13(17)8-7-11-15(19)10-5-3-4-6-14(10)20-16(11)12/h3-8H,9,17H2,1-2H3
InChIKey
ALZPYMQDCYMJHA-UHFFFAOYSA-N
Compound name
3-amino-4-[(dimethylamino)methyl]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1212 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 159.6
[M+Na]+ 291.11042 175.4
[M+NH4]+ 286.15502 168.9
[M+K]+ 307.08436 167.7
[M-H]- 267.11392 166.4
[M+Na-2H]- 289.09587 167.1
[M]+ 268.12065 164.0
[M]- 268.12175 164.0
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.