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]+ 292.190716 171.6
[M+Na]+ 314.172658 176.2
[M-H]- 290.176164 174.6
[M+NH4]+ 309.217263 186.8
[M+K]+ 330.146598 174.3
[M+H-H2O]+ 274.180700 164.4
[M+HCOO]- 336.181641 192.5
[M+CH3COO]- 350.197291 209.6
[M+Na-2H]- 312.158106 170.7
[M]+ 291.18289142 175.4
[M]- 291.18398858 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.