CID 3061353

Brn 4489209

Structural Information

Molecular Formula
C17H25NO3
SMILES
CCC(=O)C1=CC(=C(C=C1)OCCCNC(C)C)C(=O)C
InChI
InChI=1S/C17H25NO3/c1-5-16(20)14-7-8-17(15(11-14)13(4)19)21-10-6-9-18-12(2)3/h7-8,11-12,18H,5-6,9-10H2,1-4H3
InChIKey
NAPPDLDEESPJQT-UHFFFAOYSA-N
Compound name
1-[3-acetyl-4-[3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 171.6
[M+Na]+ 314.17266 176.2
[M-H]- 290.17616 174.6
[M+NH4]+ 309.21726 186.8
[M+K]+ 330.14660 174.3
[M+H-H2O]+ 274.18070 164.4
[M+HCOO]- 336.18164 192.5
[M+CH3COO]- 350.19729 209.6
[M+Na-2H]- 312.15811 170.7
[M]+ 291.18289 175.4
[M]- 291.18399 175.4
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.