CID 186896

59945-37-8

Structural Information

Molecular Formula
C23H27NO5
SMILES
C1CC2COC3=CC=CC=C3OCCOCC4N2C(C1)COC5=CC=CC=C5O4
InChI
InChI=1S/C23H27NO5/c1-2-9-20-19(8-1)26-13-12-25-16-23-24-17(14-27-20)6-5-7-18(24)15-28-21-10-3-4-11-22(21)29-23/h1-4,8-11,17-18,23H,5-7,12-16H2
InChIKey
ALEAMTPFNLZKMG-UHFFFAOYSA-N
Compound name
2,9,17,24,27-pentaoxa-29-azapentacyclo[13.13.1.03,8.011,29.018,23]nonacosa-3,5,7,18,20,22-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.18893 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19621 183.3
[M+Na]+ 420.17815 187.3
[M+NH4]+ 415.22275 185.5
[M+K]+ 436.15209 185.0
[M-H]- 396.18165 186.2
[M+Na-2H]- 418.16360 182.9
[M]+ 397.18838 184.6
[M]- 397.18948 184.6
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.