CID 442164

Amurensine

Structural Information

Molecular Formula
C19H19NO4
SMILES
CN1C[C@@H]2C3=CC(=C(C=C3C[C@H]1C4=CC5=C(C=C24)OCO5)OC)O
InChI
InChI=1S/C19H19NO4/c1-20-8-14-11-5-16(21)17(22-2)4-10(11)3-15(20)13-7-19-18(6-12(13)14)23-9-24-19/h4-7,14-15,21H,3,8-9H2,1-2H3/t14-,15+/m1/s1
InChIKey
BXWVSGUITWLTOD-CABCVRRESA-N
Compound name
(1S,11R)-15-methoxy-19-methyl-5,7-dioxa-19-azapentacyclo[9.7.2.02,10.04,8.012,17]icosa-2,4(8),9,12,14,16-hexaen-14-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

325.1314 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 177.0
[M+Na]+ 348.120618 187.8
[M-H]- 324.124124 183.7
[M+NH4]+ 343.165223 193.4
[M+K]+ 364.094558 184.7
[M+H-H2O]+ 308.128660 176.3
[M+HCOO]- 370.129601 185.9
[M+CH3COO]- 384.145251 186.6
[M+Na-2H]- 346.106066 183.4
[M]+ 325.13085142 180.4
[M]- 325.13194858 180.4
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

patents stripe