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]+ 398.196206 179.3
[M+Na]+ 420.178148 182.0
[M-H]- 396.181654 181.0
[M+NH4]+ 415.222753 180.8
[M+K]+ 436.152088 183.7
[M+H-H2O]+ 380.186190 175.0
[M+HCOO]- 442.187131 180.4
[M+CH3COO]- 456.202781 180.8
[M+Na-2H]- 418.163596 178.4
[M]+ 397.18838142 176.8
[M]- 397.18947858 176.8
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.