CID 3073853

153505-66-9

Structural Information

Molecular Formula
C14H21NO4
SMILES
CN(C)CCC(=O)C1=C(C(=C(C=C1)OC)OC)OC
InChI
InChI=1S/C14H21NO4/c1-15(2)9-8-11(16)10-6-7-12(17-3)14(19-5)13(10)18-4/h6-7H,8-9H2,1-5H3
InChIKey
ISZXWNFBLZXZSH-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(2,3,4-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 160.5
[M+Na]+ 290.136278 167.6
[M-H]- 266.139784 165.8
[M+NH4]+ 285.180883 177.9
[M+K]+ 306.110218 168.1
[M+H-H2O]+ 250.144320 153.5
[M+HCOO]- 312.145261 185.0
[M+CH3COO]- 326.160911 206.4
[M+Na-2H]- 288.121726 162.5
[M]+ 267.14651142 168.4
[M]- 267.14760858 168.4
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.