CID 368266

Norsacocapnine (+) hydrochloride

Structural Information

Molecular Formula
C19H21NO4
SMILES
COC1=C2C3=C(CCNC3CC4=C(O2)C(=C(C=C4)OC)OC)C=C1
InChI
InChI=1S/C19H21NO4/c1-21-14-6-4-11-8-9-20-13-10-12-5-7-15(22-2)19(23-3)17(12)24-18(14)16(11)13/h4-7,13,20H,8-10H2,1-3H3
InChIKey
RDCPENDAKRKOTO-UHFFFAOYSA-N
Compound name
4,5,17-trimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 174.9
[M+Na]+ 350.13628 182.0
[M-H]- 326.13978 179.8
[M+NH4]+ 345.18088 188.7
[M+K]+ 366.11022 182.9
[M+H-H2O]+ 310.14432 168.3
[M+HCOO]- 372.14526 188.0
[M+CH3COO]- 386.16091 184.9
[M+Na-2H]- 348.12173 180.9
[M]+ 327.14651 175.9
[M]- 327.14761 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.