CID 3080029

126929-77-9

Structural Information

Molecular Formula
C18H19NO3
SMILES
CCC(CO)NCC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O
InChI
InChI=1S/C18H19NO3/c1-2-13(11-20)19-10-12-7-8-17-15(9-12)18(21)14-5-3-4-6-16(14)22-17/h3-9,13,19-20H,2,10-11H2,1H3
InChIKey
QYRVQXIUHSAMKX-UHFFFAOYSA-N
Compound name
2-[(1-hydroxybutan-2-ylamino)methyl]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 167.9
[M+Na]+ 320.12572 182.9
[M+NH4]+ 315.17032 176.3
[M+K]+ 336.09966 175.1
[M-H]- 296.12922 173.0
[M+Na-2H]- 318.11117 174.2
[M]+ 297.13595 171.6
[M]- 297.13705 171.6
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.