CID 170079

38582-02-4

Structural Information

Molecular Formula
C24H21N2O2
SMILES
C[N+]1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC5=C(O4)C=C(C=C5)OC
InChI
InChI=1S/C24H21N2O2/c1-25-20-10-6-7-11-21(20)26(16-17-8-4-3-5-9-17)24(25)23-14-18-12-13-19(27-2)15-22(18)28-23/h3-15H,16H2,1-2H3/q+1
InChIKey
MWGRKPBFMWZBKD-UHFFFAOYSA-N
Compound name
1-benzyl-2-(6-methoxy-1-benzofuran-2-yl)-3-methylbenzimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

369.1603 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16758 193.8
[M+Na]+ 392.14952 205.4
[M-H]- 368.15302 205.5
[M+NH4]+ 387.19412 207.4
[M+K]+ 408.12346 194.2
[M+H-H2O]+ 352.15756 186.7
[M+HCOO]- 414.15850 215.8
[M+CH3COO]- 428.17415 205.5
[M+Na-2H]- 390.13497 198.8
[M]+ 369.15975 200.3
[M]- 369.16085 200.3
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

patents stripe