CID 15956498

Chembl204089

Structural Information

Molecular Formula
C23H27N5O
SMILES
CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCCN(C)C
InChI
InChI=1S/C23H27N5O/c1-17(2)28-21-13-8-7-12-20(21)27(23(28)29)16-22-24-18-10-5-6-11-19(18)26(22)15-9-14-25(3)4/h5-8,10-13H,1,9,14-16H2,2-4H3
InChIKey
BNCTUYYBHSDAGH-UHFFFAOYSA-N
Compound name
1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

389.22156 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.22884 198.2
[M+Na]+ 412.21078 208.8
[M-H]- 388.21428 204.5
[M+NH4]+ 407.25538 210.7
[M+K]+ 428.18472 202.2
[M+H-H2O]+ 372.21882 187.7
[M+HCOO]- 434.21976 218.9
[M+CH3COO]- 448.23541 208.5
[M+Na-2H]- 410.19623 198.3
[M]+ 389.22101 206.2
[M]- 389.22211 206.2
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

patents stripe