CID 15956496

Chembl204746

Structural Information

Molecular Formula
C22H27N5O
SMILES
CC(C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCN(C)C
InChI
InChI=1S/C22H27N5O/c1-16(2)27-20-12-8-7-11-19(20)26(22(27)28)15-21-23-17-9-5-6-10-18(17)25(21)14-13-24(3)4/h5-12,16H,13-15H2,1-4H3
InChIKey
NRHXMBXHUZVUBS-UHFFFAOYSA-N
Compound name
1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

377.22156 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22884 194.5
[M+Na]+ 400.21078 205.3
[M-H]- 376.21428 200.9
[M+NH4]+ 395.25538 207.6
[M+K]+ 416.18472 199.4
[M+H-H2O]+ 360.21882 184.1
[M+HCOO]- 422.21976 215.3
[M+CH3COO]- 436.23541 205.1
[M+Na-2H]- 398.19623 195.1
[M]+ 377.22101 202.8
[M]- 377.22211 202.8
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