CID 513595

Guatterine

Structural Information

Molecular Formula
C19H19NO4
SMILES
CN1CCC2=C3[C@@H]1[C@H](C4=CC=CC=C4C3=C5C(=C2OC)OCO5)O
InChI
InChI=1S/C19H19NO4/c1-20-8-7-12-13-14(18-19(17(12)22-2)24-9-23-18)10-5-3-4-6-11(10)16(21)15(13)20/h3-6,15-16,21H,7-9H2,1-2H3/t15-,16+/m1/s1
InChIKey
IMMQQBXZSPYGID-CVEARBPZSA-N
Compound name
(12R,13S)-7-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 173.1
[M+Na]+ 348.120618 181.8
[M-H]- 324.124124 178.2
[M+NH4]+ 343.165223 188.9
[M+K]+ 364.094558 179.2
[M+H-H2O]+ 308.128660 165.5
[M+HCOO]- 370.129601 183.9
[M+CH3COO]- 384.145251 183.7
[M+Na-2H]- 346.106066 177.6
[M]+ 325.13085142 176.0
[M]- 325.13194858 176.0
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.