CID 3046235

Sch 1810

Structural Information

Molecular Formula
C17H27ClN2O2
SMILES
CCN(CC)CCCNC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C17H27ClN2O2/c1-5-20(6-2)13-7-12-19-16(21)17(3,4)22-15-10-8-14(18)9-11-15/h8-11H,5-7,12-13H2,1-4H3,(H,19,21)
InChIKey
QYEAGDCUUIAVGQ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.17612 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18340 180.9
[M+Na]+ 349.16534 185.5
[M-H]- 325.16884 185.0
[M+NH4]+ 344.20994 196.1
[M+K]+ 365.13928 182.3
[M+H-H2O]+ 309.17338 174.2
[M+HCOO]- 371.17432 198.9
[M+CH3COO]- 385.18997 217.2
[M+Na-2H]- 347.15079 183.0
[M]+ 326.17557 187.0
[M]- 326.17667 187.0
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.