CID 155804760

N-pyrrolidino etonitazene

Structural Information

Molecular Formula
C22H26N4O3
SMILES
CCOC1=CC=C(C=C1)CC2=NC3=C(N2CCN4CCCC4)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H26N4O3/c1-2-29-19-8-5-17(6-9-19)15-22-23-20-16-18(26(27)28)7-10-21(20)25(22)14-13-24-11-3-4-12-24/h5-10,16H,2-4,11-15H2,1H3
InChIKey
LQZWZCJCEPUKCJ-UHFFFAOYSA-N
Compound name
2-[(4-ethoxyphenyl)methyl]-5-nitro-1-(2-pyrrolidin-1-ylethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

394.2005 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.20778 193.8
[M+Na]+ 417.18972 207.5
[M+NH4]+ 412.23432 200.5
[M+K]+ 433.16366 205.8
[M-H]- 393.19322 199.3
[M+Na-2H]- 415.17517 200.4
[M]+ 394.19995 197.1
[M]- 394.20105 197.1
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