CID 102144689

Govaniadine

Structural Information

Molecular Formula
C19H19NO4
SMILES
COC1=C(C2=C(CCN3[C@H]2CC4=CC5=C(C=C4C3)OCO5)C=C1)O
InChI
InChI=1S/C19H19NO4/c1-22-15-3-2-11-4-5-20-9-13-8-17-16(23-10-24-17)7-12(13)6-14(20)18(11)19(15)21/h2-3,7-8,14,21H,4-6,9-10H2,1H3/t14-/m0/s1
InChIKey
VSCSJMRNBGGEEP-AWEZNQCLSA-N
Compound name
(13S)-16-methoxy-6,8-dioxa-1-azapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3,5(9),10,14(19),15,17-hexaen-15-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

325.1314 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 171.3
[M+Na]+ 348.120618 179.3
[M-H]- 324.124124 176.7
[M+NH4]+ 343.165223 186.5
[M+K]+ 364.094558 176.5
[M+H-H2O]+ 308.128660 163.5
[M+HCOO]- 370.129601 182.2
[M+CH3COO]- 384.145251 181.6
[M+Na-2H]- 346.106066 176.1
[M]+ 325.13085142 172.0
[M]- 325.13194858 172.0
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

No patent data available for this compound.