CID 156588955

Butonitazene

Structural Information

Molecular Formula
C24H32N4O3
SMILES
CCCCOC1=CC=C(C=C1)CC2=NC3=C(N2CCN(CC)CC)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C24H32N4O3/c1-4-7-16-31-21-11-8-19(9-12-21)17-24-25-22-18-20(28(29)30)10-13-23(22)27(24)15-14-26(5-2)6-3/h8-13,18H,4-7,14-17H2,1-3H3
InChIKey
UZZPOLCDCVWLAZ-UHFFFAOYSA-N
Compound name
2-[2-[(4-butoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

424.24744 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.25472 204.9
[M+Na]+ 447.23666 218.3
[M+NH4]+ 442.28126 211.0
[M+K]+ 463.21060 214.1
[M-H]- 423.24016 210.1
[M+Na-2H]- 445.22211 210.7
[M]+ 424.24689 208.1
[M]- 424.24799 208.1
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

No patent data available for this compound.