CID 6482354

1-(cyclodecapentaenyl)-3-[[3-(cyclodecapentaenyl)imidazolidin-1-yl]methyl]imidazolidine

Structural Information

Molecular Formula
C27H32N4
SMILES
C1CN(CN1CN2CCN(C2)C3=CC=CC=CC=CC=C3)C4=CC=CC=CC=CC=C4
InChI
InChI=1S/C27H32N4/c1-3-7-11-15-26(16-12-8-4-1)30-21-19-28(24-30)23-29-20-22-31(25-29)27-17-13-9-5-2-6-10-14-18-27/h1-18H,19-25H2
InChIKey
CMZAFWMOHKYCHF-UHFFFAOYSA-N
Compound name
1-(cyclodecapentaenyl)-3-[[3-(cyclodecapentaenyl)imidazolidin-1-yl]methyl]imidazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.2627 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.26998 180.7
[M+Na]+ 435.25192 183.8
[M-H]- 411.25542 182.7
[M+NH4]+ 430.29652 182.8
[M+K]+ 451.22586 179.6
[M+H-H2O]+ 395.25996 173.6
[M+HCOO]- 457.26090 195.8
[M+CH3COO]- 471.27655 186.7
[M+Na-2H]- 433.23737 177.7
[M]+ 412.26215 171.9
[M]- 412.26325 171.9
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.