CID 15956495

Chembl203587

Structural Information

Molecular Formula
C22H25N5O
SMILES
CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCN(C)C
InChI
InChI=1S/C22H25N5O/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/h5-12H,1,13-15H2,2-4H3
InChIKey
UOLGNQXDHOHYJH-UHFFFAOYSA-N
Compound name
1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

375.2059 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.21318 193.7
[M+Na]+ 398.19512 204.8
[M-H]- 374.19862 200.2
[M+NH4]+ 393.23972 206.8
[M+K]+ 414.16906 198.4
[M+H-H2O]+ 358.20316 183.4
[M+HCOO]- 420.20410 214.8
[M+CH3COO]- 434.21975 204.4
[M+Na-2H]- 396.18057 194.3
[M]+ 375.20535 201.4
[M]- 375.20645 201.4
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