CID 30289

Butyrophenone, 6'-(2-(diethylamino)ethoxy)-5'-nitro-, hydrochloride

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CCCC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])OCCN(CC)CC
InChI
InChI=1S/C16H24N2O4/c1-4-8-15(19)13-9-7-10-14(18(20)21)16(13)22-12-11-17(5-2)6-3/h7,9-10H,4-6,8,11-12H2,1-3H3
InChIKey
PFQLBCSVPYNTTB-UHFFFAOYSA-N
Compound name
1-[2-[2-(diethylamino)ethoxy]-3-nitrophenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.180876 175.0
[M+Na]+ 331.162818 179.0
[M-H]- 307.166324 179.2
[M+NH4]+ 326.207423 189.3
[M+K]+ 347.136758 174.0
[M+H-H2O]+ 291.170860 171.7
[M+HCOO]- 353.171801 199.4
[M+CH3COO]- 367.187451 208.2
[M+Na-2H]- 329.148266 177.4
[M]+ 308.17305142 178.8
[M]- 308.17414858 178.8
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.