CID 3064909

2,14-dimethyldibenzimidazo(5,6-b;5,6-k)-18-crown-6

Structural Information

Molecular Formula
C24H28N4O6
SMILES
CC1=NC2=CC3=C(C=C2N1)OCCOCCOC4=C(C=C5C(=C4)NC(=N5)C)OCCOCCO3
InChI
InChI=1S/C24H28N4O6/c1-15-25-17-11-21-22(12-18(17)26-15)32-8-4-30-6-10-34-24-14-20-19(27-16(2)28-20)13-23(24)33-9-5-29-3-7-31-21/h11-14H,3-10H2,1-2H3,(H,25,26)(H,27,28)
InChIKey
UCNISDHWHNXSCB-UHFFFAOYSA-N
Compound name
13,29-dimethyl-2,5,8,18,21,24-hexaoxa-12,14,28,30-tetrazapentacyclo[23.7.0.09,17.011,15.027,31]dotriaconta-1(25),9(17),10,12,15,26,29,31-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.2009 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.20818 203.8
[M+Na]+ 491.19012 217.7
[M+NH4]+ 486.23472 207.8
[M+K]+ 507.16406 217.6
[M-H]- 467.19362 213.1
[M+Na-2H]- 489.17557 202.6
[M]+ 468.20035 208.2
[M]- 468.20145 208.2
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.