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 207.8
[M+Na]+ 447.23666 212.4
[M-H]- 423.24016 213.8
[M+NH4]+ 442.28126 217.4
[M+K]+ 463.21060 203.7
[M+H-H2O]+ 407.24470 201.0
[M+HCOO]- 469.24564 230.4
[M+CH3COO]- 483.26129 230.5
[M+Na-2H]- 445.22211 210.8
[M]+ 424.24689 213.8
[M]- 424.24799 213.8
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.