CID 80913

6441-88-9

Structural Information

Molecular Formula
C23H20NO4
SMILES
C[N+](=C1C=CC2=C(C3=C(C=C(C=C3)O)OC2=C1)C4=CC=CC=C4C(=O)OC)C
InChI
InChI=1S/C23H19NO4/c1-24(2)14-8-10-18-20(12-14)28-21-13-15(25)9-11-19(21)22(18)16-6-4-5-7-17(16)23(26)27-3/h4-13H,1-3H3/p+1
InChIKey
RZELENUVHIICLJ-UHFFFAOYSA-O
Compound name
[6-hydroxy-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.13922 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14650 192.1
[M+Na]+ 397.12844 200.0
[M-H]- 373.13194 201.9
[M+NH4]+ 392.17304 204.0
[M+K]+ 413.10238 191.3
[M+H-H2O]+ 357.13648 185.0
[M+HCOO]- 419.13742 211.1
[M+CH3COO]- 433.15307 215.9
[M+Na-2H]- 395.11389 198.7
[M]+ 374.13867 194.9
[M]- 374.13977 194.9
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.