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 199.4
[M+Na]+ 491.19012 207.2
[M-H]- 467.19362 203.3
[M+NH4]+ 486.23472 197.3
[M+K]+ 507.16406 209.1
[M+H-H2O]+ 451.19816 196.7
[M+HCOO]- 513.19910 202.2
[M+CH3COO]- 527.21475 205.5
[M+Na-2H]- 489.17557 198.2
[M]+ 468.20035 199.1
[M]- 468.20145 199.1
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.