CID 3007946

2-[4-[2-(4-ethylphenyl)ethyl]phenyl]-n-isopropyl-3h-benzimidazole-5-carboxamidine

Structural Information

Molecular Formula
C27H30N4
SMILES
CCC1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=NC(C)C)N
InChI
InChI=1S/C27H30N4/c1-4-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)27-30-24-16-15-23(17-25(24)31-27)26(28)29-18(2)3/h5-8,11-18H,4,9-10H2,1-3H3,(H2,28,29)(H,30,31)
InChIKey
DELFMPNDEDILKJ-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-ethylphenyl)ethyl]phenyl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.24704 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.25432 204.9
[M+Na]+ 433.23626 210.8
[M-H]- 409.23976 212.5
[M+NH4]+ 428.28086 214.5
[M+K]+ 449.21020 202.5
[M+H-H2O]+ 393.24430 193.6
[M+HCOO]- 455.24524 224.9
[M+CH3COO]- 469.26089 213.0
[M+Na-2H]- 431.22171 204.8
[M]+ 410.24649 205.0
[M]- 410.24759 205.0
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.