CID 2337880

2-butyl-3-methyl-1-(2-oxo-2-phenylethyl)-1h-benzo[d]imidazol-3-ium bromide

Structural Information

Molecular Formula
C20H23N2O
SMILES
CCCCC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C20H23N2O/c1-3-4-14-20-21(2)17-12-8-9-13-18(17)22(20)15-19(23)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3/q+1
InChIKey
NKMXECOFTMWDBU-UHFFFAOYSA-N
Compound name
2-(2-butyl-3-methylbenzimidazol-3-ium-1-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.18103 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18831 178.4
[M+Na]+ 330.17025 187.0
[M-H]- 306.17375 183.9
[M+NH4]+ 325.21485 193.2
[M+K]+ 346.14419 175.6
[M+H-H2O]+ 290.17829 171.7
[M+HCOO]- 352.17923 199.0
[M+CH3COO]- 366.19488 201.2
[M+Na-2H]- 328.15570 183.2
[M]+ 307.18048 181.4
[M]- 307.18158 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.