CID 30306

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

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CCCC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])OCCN(C(C)C)C(C)C
InChI
InChI=1S/C18H28N2O4/c1-6-8-17(21)15-9-7-10-16(20(22)23)18(15)24-12-11-19(13(2)3)14(4)5/h7,9-10,13-14H,6,8,11-12H2,1-5H3
InChIKey
FSFAJISPMKKVMA-UHFFFAOYSA-N
Compound name
1-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-nitrophenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2049 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.212176 183.4
[M+Na]+ 359.194118 186.2
[M-H]- 335.197624 187.4
[M+NH4]+ 354.238723 196.5
[M+K]+ 375.168058 181.8
[M+H-H2O]+ 319.202160 180.2
[M+HCOO]- 381.203101 205.2
[M+CH3COO]- 395.218751 215.6
[M+Na-2H]- 357.179566 182.6
[M]+ 336.20435142 186.7
[M]- 336.20544858 186.7
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.