CID 5281173

1472-76-0

Structural Information

Molecular Formula
C17H19NO4
SMILES
CO[C@H]1C[C@H]2[C@@]3(C=C1)[C@@H](CN2CC4=CC5=C(C=C34)OCO5)O
InChI
InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16-,17+/m1/s1
InChIKey
YGPRSGKVLATIHT-BEMMVCDISA-N
Compound name
(1S,13S,15S,18S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

44
References

1580
Patents

301.1314 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 167.6
[M+Na]+ 324.12062 179.0
[M+NH4]+ 319.16522 178.4
[M+K]+ 340.09456 175.1
[M-H]- 300.12412 172.3
[M+Na-2H]- 322.10607 168.6
[M]+ 301.13085 170.7
[M]- 301.13195 170.7
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.