CID 355051

4-hydroxysarcocapnine (supplier named)

Structural Information

Molecular Formula
C20H23NO5
SMILES
CN1CC(C2=C3C1CC4=C(C(=C(C=C4)OC)OC)OC3=C(C=C2)OC)O
InChI
InChI=1S/C20H23NO5/c1-21-10-14(22)12-6-8-15(23-2)19-17(12)13(21)9-11-5-7-16(24-3)20(25-4)18(11)26-19/h5-8,13-14,22H,9-10H2,1-4H3
InChIKey
ITVKPOQYPPYHQA-UHFFFAOYSA-N
Compound name
4,5,17-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaen-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.15762 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16490 183.6
[M+Na]+ 380.14684 191.6
[M-H]- 356.15034 189.0
[M+NH4]+ 375.19144 196.6
[M+K]+ 396.12078 193.6
[M+H-H2O]+ 340.15488 176.9
[M+HCOO]- 402.15582 196.3
[M+CH3COO]- 416.17147 193.5
[M+Na-2H]- 378.13229 187.8
[M]+ 357.15707 187.0
[M]- 357.15817 187.0
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.