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]+ 326.13868 171.3
[M+Na]+ 348.12062 179.3
[M-H]- 324.12412 176.7
[M+NH4]+ 343.16522 186.5
[M+K]+ 364.09456 176.5
[M+H-H2O]+ 308.12866 163.5
[M+HCOO]- 370.12960 182.2
[M+CH3COO]- 384.14525 181.6
[M+Na-2H]- 346.10607 176.1
[M]+ 325.13085 172.0
[M]- 325.13195 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.