CID 215365

35610-40-3

Structural Information

Molecular Formula
C17H27NO4
SMILES
CCN(CC)CCCC(=O)C1=C(C=C(C=C1OC)OC)OC
InChI
InChI=1S/C17H27NO4/c1-6-18(7-2)10-8-9-14(19)17-15(21-4)11-13(20-3)12-16(17)22-5/h11-12H,6-10H2,1-5H3
InChIKey
CVIVXXBRBWDSDS-UHFFFAOYSA-N
Compound name
4-(diethylamino)-1-(2,4,6-trimethoxyphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.194 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.201276 174.7
[M+Na]+ 332.183218 180.5
[M-H]- 308.186724 179.3
[M+NH4]+ 327.227823 190.3
[M+K]+ 348.157158 180.2
[M+H-H2O]+ 292.191260 167.0
[M+HCOO]- 354.192201 198.1
[M+CH3COO]- 368.207851 215.3
[M+Na-2H]- 330.168666 175.0
[M]+ 309.19345142 183.6
[M]- 309.19454858 183.6
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.