CID 135469150

Euk-207

Structural Information

Molecular Formula
C22H26N2O6
SMILES
C1CN=CC2=C(C(=CC=C2)OCCOCCOCCOC3=CC=CC(=C3O)C=N1)O
InChI
InChI=1S/C22H26N2O6/c25-21-17-3-1-5-19(21)29-13-11-27-9-10-28-12-14-30-20-6-2-4-18(22(20)26)16-24-8-7-23-15-17/h1-6,15-16,25-26H,7-14H2
InChIKey
IJRRNMCPHVFFMW-UHFFFAOYSA-N
Compound name
13,16,19,22-tetraoxa-3,6-diazatricyclo[21.3.1.18,12]octacosa-1(27),2,6,8(28),9,11,23,25-octaene-27,28-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.17908 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18636 191.6
[M+Na]+ 437.16830 195.9
[M-H]- 413.17180 191.8
[M+NH4]+ 432.21290 191.6
[M+K]+ 453.14224 197.7
[M+H-H2O]+ 397.17634 186.9
[M+HCOO]- 459.17728 196.5
[M+CH3COO]- 473.19293 197.2
[M+Na-2H]- 435.15375 197.5
[M]+ 414.17853 187.5
[M]- 414.17963 187.5
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.