CID 168310446

5-methyl etonitazene

Structural Information

Molecular Formula
C23H31N3O
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)C)N=C1CC3=CC=C(C=C3)OCC
InChI
InChI=1S/C23H31N3O/c1-5-25(6-2)14-15-26-22-13-8-18(4)16-21(22)24-23(26)17-19-9-11-20(12-10-19)27-7-3/h8-13,16H,5-7,14-15,17H2,1-4H3
InChIKey
ZARKNPABJGEAOQ-UHFFFAOYSA-N
Compound name
2-[2-[(4-ethoxyphenyl)methyl]-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2467 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.253976 193.9
[M+Na]+ 388.235918 201.6
[M-H]- 364.239424 200.2
[M+NH4]+ 383.280523 207.3
[M+K]+ 404.209858 196.3
[M+H-H2O]+ 348.243960 183.4
[M+HCOO]- 410.244901 216.1
[M+CH3COO]- 424.260551 226.0
[M+Na-2H]- 386.221366 195.1
[M]+ 365.24615142 201.4
[M]- 365.24724858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.