CID 23666

Butyrophenone, 5'-amino-6'-(2-(diisopropylamino)ethoxy)-, dihydrochloride

Structural Information

Molecular Formula
C18H30N2O2
SMILES
CCCC(=O)C1=C(C(=CC=C1)N)OCCN(C(C)C)C(C)C
InChI
InChI=1S/C18H30N2O2/c1-6-8-17(21)15-9-7-10-16(19)18(15)22-12-11-20(13(2)3)14(4)5/h7,9-10,13-14H,6,8,11-12,19H2,1-5H3
InChIKey
LAVNQDZWINGXMW-UHFFFAOYSA-N
Compound name
1-[3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.23802 179.7
[M+Na]+ 329.21996 183.0
[M-H]- 305.22346 183.4
[M+NH4]+ 324.26456 194.5
[M+K]+ 345.19390 182.0
[M+H-H2O]+ 289.22800 171.9
[M+HCOO]- 351.22894 200.8
[M+CH3COO]- 365.24459 219.3
[M+Na-2H]- 327.20541 176.7
[M]+ 306.23019 182.6
[M]- 306.23129 182.6
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.