CID 39154

42223-03-0

Structural Information

Molecular Formula
C23H26NO6
SMILES
C[N+](C)(C)CC(=O)OCC1(C(=O)C2=C(C1=O)C=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H26NO6/c1-24(2,3)13-20(25)30-14-23(15-6-8-16(28-4)9-7-15)21(26)18-11-10-17(29-5)12-19(18)22(23)27/h6-12H,13-14H2,1-5H3/q+1
InChIKey
VZJZPVRMLWFDLV-UHFFFAOYSA-N
Compound name
[2-[[5-methoxy-2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]methoxy]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.17603 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18331 196.9
[M+Na]+ 435.16525 204.3
[M-H]- 411.16875 206.4
[M+NH4]+ 430.20985 212.6
[M+K]+ 451.13919 196.8
[M+H-H2O]+ 395.17329 192.5
[M+HCOO]- 457.17423 218.1
[M+CH3COO]- 471.18988 222.7
[M+Na-2H]- 433.15070 202.0
[M]+ 412.17548 203.9
[M]- 412.17658 203.9
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.