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]+ 298.143776 167.4
[M+Na]+ 320.125718 176.0
[M-H]- 296.129224 172.5
[M+NH4]+ 315.170323 182.7
[M+K]+ 336.099658 172.2
[M+H-H2O]+ 280.133760 159.7
[M+HCOO]- 342.134701 188.2
[M+CH3COO]- 356.150351 205.8
[M+Na-2H]- 318.111166 175.5
[M]+ 297.13595142 171.6
[M]- 297.13704858 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.