CID 3011002

A-206115

Structural Information

Molecular Formula
C25H44N4
SMILES
CC(CCN(CCC(C)CC(C)(C)C)C1=CC2=C(C=C1)N=C(N2)N)CC(C)(C)C
InChI
InChI=1S/C25H44N4/c1-18(16-24(3,4)5)11-13-29(14-12-19(2)17-25(6,7)8)20-9-10-21-22(15-20)28-23(26)27-21/h9-10,15,18-19H,11-14,16-17H2,1-8H3,(H3,26,27,28)
InChIKey
KDMSNOSFWQFXMS-UHFFFAOYSA-N
Compound name
5-N,5-N-bis(3,5,5-trimethylhexyl)-3H-benzimidazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.3566 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.36388 210.1
[M+Na]+ 423.34582 212.9
[M-H]- 399.34932 210.8
[M+NH4]+ 418.39042 221.2
[M+K]+ 439.31976 208.8
[M+H-H2O]+ 383.35386 201.8
[M+HCOO]- 445.35480 223.9
[M+CH3COO]- 459.37045 235.1
[M+Na-2H]- 421.33127 208.5
[M]+ 400.35605 213.0
[M]- 400.35715 213.0
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.