CID 30304

Brn 2588217

Structural Information

Molecular Formula
C18H28ClNO2
SMILES
CCCC(=O)C1=C(C=CC(=C1)Cl)OCCN(C(C)C)C(C)C
InChI
InChI=1S/C18H28ClNO2/c1-6-7-17(21)16-12-15(19)8-9-18(16)22-11-10-20(13(2)3)14(4)5/h8-9,12-14H,6-7,10-11H2,1-5H3
InChIKey
VINIHWKNHVRYQN-UHFFFAOYSA-N
Compound name
1-[5-chloro-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

325.18085 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18813 179.8
[M+Na]+ 348.17007 184.9
[M-H]- 324.17357 184.0
[M+NH4]+ 343.21467 195.5
[M+K]+ 364.14401 182.0
[M+H-H2O]+ 308.17811 173.4
[M+HCOO]- 370.17905 196.2
[M+CH3COO]- 384.19470 218.4
[M+Na-2H]- 346.15552 177.3
[M]+ 325.18030 186.9
[M]- 325.18140 186.9
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.