CID 443689

Pseudolycorine

Structural Information

Molecular Formula
C16H19NO4
SMILES
COC1=C(C=C2[C@@H]3[C@@H]([C@H](C=C4[C@H]3N(CC4)CC2=C1)O)O)O
InChI
InChI=1S/C16H19NO4/c1-21-13-5-9-7-17-3-2-8-4-12(19)16(20)14(15(8)17)10(9)6-11(13)18/h4-6,12,14-16,18-20H,2-3,7H2,1H3/t12-,14-,15+,16+/m0/s1
InChIKey
CKAHWDNDUGDSLE-ARLBYUKCSA-N
Compound name
(1S,14S,15S,16S)-5-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-4,14,15-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

75
Patents

289.1314 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 165.2
[M+Na]+ 312.12062 172.9
[M-H]- 288.12412 165.6
[M+NH4]+ 307.16522 183.1
[M+K]+ 328.09456 168.0
[M+H-H2O]+ 272.12866 159.4
[M+HCOO]- 334.12960 176.3
[M+CH3COO]- 348.14525 175.1
[M+Na-2H]- 310.10607 167.4
[M]+ 289.13085 164.0
[M]- 289.13195 164.0
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