CID 179718

93446-02-7

Structural Information

Molecular Formula
C23H30NO4
SMILES
CC(C)[N+](C)(CCOC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)O)C(C)C
InChI
InChI=1S/C23H30NO4/c1-16(2)24(5,17(3)4)14-15-27-22(25)23(26)18-10-6-8-12-20(18)28-21-13-9-7-11-19(21)23/h6-13,16-17,26H,14-15H2,1-5H3/q+1
InChIKey
GXIPVUQBZOKGOS-UHFFFAOYSA-N
Compound name
2-(9-hydroxyxanthene-9-carbonyl)oxyethyl-methyl-di(propan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.21747 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22475 193.9
[M+Na]+ 407.20669 197.9
[M-H]- 383.21019 198.9
[M+NH4]+ 402.25129 207.5
[M+K]+ 423.18063 191.2
[M+H-H2O]+ 367.21473 189.1
[M+HCOO]- 429.21567 207.5
[M+CH3COO]- 443.23132 218.1
[M+Na-2H]- 405.19214 201.0
[M]+ 384.21692 196.4
[M]- 384.21802 196.4
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.