CID 91820007

Glandicoline a

Structural Information

Molecular Formula
C22H21N5O3
SMILES
CC(C)(C=C)C12C=C(C(=O)N\3C1(NC4=CC=CC=C24)NC(=O)/C3=C\C5=CN=CN5)O
InChI
InChI=1S/C22H21N5O3/c1-4-20(2,3)21-10-17(28)19(30)27-16(9-13-11-23-12-24-13)18(29)26-22(21,27)25-15-8-6-5-7-14(15)21/h4-12,25,28H,1H2,2-3H3,(H,23,24)(H,26,29)/b16-9+
InChIKey
IQKCBJLWCVXJOG-CXUHLZMHSA-N
Compound name
(14E)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

403.16443 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17171 193.0
[M+Na]+ 426.15365 201.4
[M+NH4]+ 421.19825 199.2
[M+K]+ 442.12759 199.6
[M-H]- 402.15715 190.9
[M+Na-2H]- 424.13910 195.3
[M]+ 403.16388 193.3
[M]- 403.16498 193.3
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.