CID 11876135

Dihydrolycorine

Structural Information

Molecular Formula
C16H19NO4
SMILES
C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2[C@H]1C[C@@H]([C@H]5O)O)OCO4
InChI
InChI=1S/C16H19NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8-,11+,14+,15-,16-/m1/s1
InChIKey
VJILFEGOWCJNIK-MGRBZGILSA-N
Compound name
(1S,15R,17S,18S,19R)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

27
Patents

289.1314 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 160.9
[M+Na]+ 312.12062 167.7
[M-H]- 288.12412 164.3
[M+NH4]+ 307.16522 179.1
[M+K]+ 328.09456 165.0
[M+H-H2O]+ 272.12866 156.1
[M+HCOO]- 334.12960 169.5
[M+CH3COO]- 348.14525 171.1
[M+Na-2H]- 310.10607 162.8
[M]+ 289.13085 159.1
[M]- 289.13195 159.1
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

patents stripe