CID 157010653

Protodesnitazene

Structural Information

Molecular Formula
C23H31N3O
SMILES
CCCOC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CCN(CC)CC
InChI
InChI=1S/C23H31N3O/c1-4-17-27-20-13-11-19(12-14-20)18-23-24-21-9-7-8-10-22(21)26(23)16-15-25(5-2)6-3/h7-14H,4-6,15-18H2,1-3H3
InChIKey
CEHFMRGBRNNSCM-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-[(4-propoxyphenyl)methyl]benzimidazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2467 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.253976 193.5
[M+Na]+ 388.235918 200.2
[M-H]- 364.239424 199.3
[M+NH4]+ 383.280523 206.6
[M+K]+ 404.209858 194.9
[M+H-H2O]+ 348.243960 182.7
[M+HCOO]- 410.244901 215.7
[M+CH3COO]- 424.260551 224.8
[M+Na-2H]- 386.221366 195.5
[M]+ 365.24615142 200.6
[M]- 365.24724858 200.6
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.