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
2
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]+ 366.25398 193.5
[M+Na]+ 388.23592 200.2
[M-H]- 364.23942 199.3
[M+NH4]+ 383.28052 206.6
[M+K]+ 404.20986 194.9
[M+H-H2O]+ 348.24396 182.7
[M+HCOO]- 410.24490 215.7
[M+CH3COO]- 424.26055 224.8
[M+Na-2H]- 386.22137 195.5
[M]+ 365.24615 200.6
[M]- 365.24725 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.