CID 633491

Glaudine

Structural Information

Molecular Formula
C22H25NO6
SMILES
CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)OC)C5=C(C=C4)OCO5)OC)OC
InChI
InChI=1S/C22H25NO6/c1-23-8-7-12-9-16(24-2)17(25-3)10-14(12)20-19(23)13-5-6-15-21(28-11-27-15)18(13)22(26-4)29-20/h5-6,9-10,19-20,22H,7-8,11H2,1-4H3
InChIKey
STJFYCWYHROASW-UHFFFAOYSA-N
Compound name
11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

649
Patents

399.16818 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.17546 191.4
[M+Na]+ 422.15740 199.5
[M-H]- 398.16090 200.5
[M+NH4]+ 417.20200 202.9
[M+K]+ 438.13134 202.2
[M+H-H2O]+ 382.16544 185.4
[M+HCOO]- 444.16638 202.2
[M+CH3COO]- 458.18203 201.3
[M+Na-2H]- 420.14285 194.2
[M]+ 399.16763 195.8
[M]- 399.16873 195.8
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.