CID 15956504

1-(2-dimethylaminoethyl)-3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one

Structural Information

Molecular Formula
C23H30N6O
SMILES
CN(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CCN(C)C
InChI
InChI=1S/C23H30N6O/c1-25(2)13-15-27-19-10-6-5-9-18(19)24-22(27)17-29-21-12-8-7-11-20(21)28(23(29)30)16-14-26(3)4/h5-12H,13-17H2,1-4H3
InChIKey
FBPCAXFAZOSPKK-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.2481 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.25538 201.8
[M+Na]+ 429.23732 211.5
[M-H]- 405.24082 209.4
[M+NH4]+ 424.28192 214.0
[M+K]+ 445.21126 206.3
[M+H-H2O]+ 389.24536 190.5
[M+HCOO]- 451.24630 224.8
[M+CH3COO]- 465.26195 212.1
[M+Na-2H]- 427.22277 203.2
[M]+ 406.24755 211.5
[M]- 406.24865 211.5
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.