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

16
References

1
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

literature stripe

Patent stripe

patents stripe