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 176.1
[M+Na]+ 351.14410 181.9
[M-H]- 327.14760 183.0
[M+NH4]+ 346.18870 190.8
[M+K]+ 367.11804 175.3
[M+H-H2O]+ 311.15214 170.7
[M+HCOO]- 373.15308 194.7
[M+CH3COO]- 387.16873 207.7
[M+Na-2H]- 349.12955 186.6
[M]+ 328.15433 179.9
[M]- 328.15543 179.9
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.