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
2
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]+ 366.25398 193.9
[M+Na]+ 388.23592 201.6
[M-H]- 364.23942 200.2
[M+NH4]+ 383.28052 207.3
[M+K]+ 404.20986 196.3
[M+H-H2O]+ 348.24396 183.4
[M+HCOO]- 410.24490 216.1
[M+CH3COO]- 424.26055 226.0
[M+Na-2H]- 386.22137 195.1
[M]+ 365.24615 201.4
[M]- 365.24725 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.