CID 3007942

Chembl516470

Structural Information

Molecular Formula
C26H28N4O
SMILES
CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)CCC4=CC=C(C=C4)OC)N
InChI
InChI=1S/C26H28N4O/c1-17(2)28-25(27)21-12-15-23-24(16-21)30-26(29-23)20-10-6-18(7-11-20)4-5-19-8-13-22(31-3)14-9-19/h6-17H,4-5H2,1-3H3,(H2,27,28)(H,29,30)
InChIKey
GBCONOUODASYPR-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

412.22632 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23360 203.5
[M+Na]+ 435.21554 209.5
[M-H]- 411.21904 211.3
[M+NH4]+ 430.26014 212.8
[M+K]+ 451.18948 202.2
[M+H-H2O]+ 395.22358 192.2
[M+HCOO]- 457.22452 223.9
[M+CH3COO]- 471.24017 211.8
[M+Na-2H]- 433.20099 203.9
[M]+ 412.22577 204.6
[M]- 412.22687 204.6
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.