CID 134817258

Am9405

Structural Information

Molecular Formula
C24H33N2O2
SMILES
CCCCCCC(C)(C)C1=CC(=C(C(=C1)O)C2=[N+](C3=CC=CC=C3N2C)C)O
InChI
InChI=1S/C24H32N2O2/c1-6-7-8-11-14-24(2,3)17-15-20(27)22(21(28)16-17)23-25(4)18-12-9-10-13-19(18)26(23)5/h9-10,12-13,15-16H,6-8,11,14H2,1-5H3,(H,27,28)/p+1
InChIKey
OTNNSKFEEHLJQD-UHFFFAOYSA-O
Compound name
2-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-(2-methyloctan-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.2542 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.26148 196.9
[M+Na]+ 404.24342 213.0
[M+NH4]+ 399.28802 204.3
[M+K]+ 420.21736 207.6
[M-H]- 380.24692 201.0
[M+Na-2H]- 402.22887 202.9
[M]+ 381.25365 200.9
[M]- 381.25475 200.9
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.