CID 3035411

104786-63-2

Structural Information

Molecular Formula
C18H23NO3
SMILES
C1C[C@@H]2CN3CCC4=CC5=C(C=C4[C@@H]3C[C@@H]2C[C@H]1O)OCO5
InChI
InChI=1S/C18H23NO3/c20-14-2-1-12-9-19-4-3-11-7-17-18(22-10-21-17)8-15(11)16(19)6-13(12)5-14/h7-8,12-14,16,20H,1-6,9-10H2/t12-,13+,14+,16+/m1/s1
InChIKey
UEZSUAXJWCMWEK-HOSILWTGSA-N
Compound name
(1S,15S,18S,20R)-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-trien-18-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

0
Patents

301.1678 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.175076 165.9
[M+Na]+ 324.157018 170.7
[M-H]- 300.160524 169.8
[M+NH4]+ 319.201623 181.6
[M+K]+ 340.130958 167.5
[M+H-H2O]+ 284.165060 158.2
[M+HCOO]- 346.166001 172.7
[M+CH3COO]- 360.181651 174.8
[M+Na-2H]- 322.142466 168.8
[M]+ 301.16725142 160.1
[M]- 301.16834858 160.1
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

No patent data available for this compound.