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]+ 302.17508 165.9
[M+Na]+ 324.15702 170.7
[M-H]- 300.16052 169.8
[M+NH4]+ 319.20162 181.6
[M+K]+ 340.13096 167.5
[M+H-H2O]+ 284.16506 158.2
[M+HCOO]- 346.16600 172.7
[M+CH3COO]- 360.18165 174.8
[M+Na-2H]- 322.14247 168.8
[M]+ 301.16725 160.1
[M]- 301.16835 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.