CID 2724828

126531-26-8

Structural Information

Molecular Formula
C20H25NO6
SMILES
C1COC2=C(C=C(C=C2)N)OCCOCCOC3=CC=CC=C3OCCO1
InChI
InChI=1S/C20H25NO6/c21-16-5-6-19-20(15-16)27-14-10-23-8-12-25-18-4-2-1-3-17(18)24-11-7-22-9-13-26-19/h1-6,15H,7-14,21H2
InChIKey
FFYZYAKXQMHVQE-UHFFFAOYSA-N
Compound name
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

375.16818 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17546 184.0
[M+Na]+ 398.15740 196.0
[M+NH4]+ 393.20200 189.7
[M+K]+ 414.13134 191.5
[M-H]- 374.16090 196.2
[M+Na-2H]- 396.14285 186.6
[M]+ 375.16763 188.9
[M]- 375.16873 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe