CID 3067870

1h-benzimidazolium, 2-(2-amino-5-hydroxy-4,6,7-trimethyl-3-benzofuranyl)-1,3-dimethyl-, iodide

Structural Information

Molecular Formula
C20H22N3O2
SMILES
CC1=C(C2=C(C(=C1O)C)C(=C(O2)N)C3=[N+](C4=CC=CC=C4N3C)C)C
InChI
InChI=1S/C20H21N3O2/c1-10-11(2)18-15(12(3)17(10)24)16(19(21)25-18)20-22(4)13-8-6-7-9-14(13)23(20)5/h6-9,21,24H,1-5H3/p+1
InChIKey
CQSBGMVCKYOBQM-UHFFFAOYSA-O
Compound name
2-amino-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)-4,6,7-trimethyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1712 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17848 180.1
[M+Na]+ 359.16042 198.6
[M+NH4]+ 354.20502 189.0
[M+K]+ 375.13436 195.9
[M-H]- 335.16392 187.6
[M+Na-2H]- 357.14587 185.9
[M]+ 336.17065 185.5
[M]- 336.17175 185.5
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.