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]+ 309.18088 175.0
[M+Na]+ 331.16282 179.0
[M-H]- 307.16632 179.2
[M+NH4]+ 326.20742 189.3
[M+K]+ 347.13676 174.0
[M+H-H2O]+ 291.17086 171.7
[M+HCOO]- 353.17180 199.4
[M+CH3COO]- 367.18745 208.2
[M+Na-2H]- 329.14827 177.4
[M]+ 308.17305 178.8
[M]- 308.17415 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.