CID 59512

102571-27-7

Structural Information

Molecular Formula
C19H22NO4
SMILES
C[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)OC
InChI
InChI=1S/C19H22NO4/c1-20(2,22-3)12-13-23-19(21)18-14-8-4-6-10-16(14)24-17-11-7-5-9-15(17)18/h4-11,18H,12-13H2,1-3H3/q+1
InChIKey
LKZLEDNUSBPQKS-UHFFFAOYSA-N
Compound name
methoxy-dimethyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.15488 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16216 173.1
[M+Na]+ 351.14410 188.2
[M+NH4]+ 346.18870 182.5
[M+K]+ 367.11804 182.0
[M-H]- 327.14760 179.5
[M+Na-2H]- 349.12955 179.8
[M]+ 328.15433 177.6
[M]- 328.15543 177.6
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.