CID 3073853

1-propanone, 3-(dimethylamino)-1-(2,3,4-trimethoxyphenyl)-, hydrochloride

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]+ 268.15434 160.5
[M+Na]+ 290.13628 167.6
[M-H]- 266.13978 165.8
[M+NH4]+ 285.18088 177.9
[M+K]+ 306.11022 168.1
[M+H-H2O]+ 250.14432 153.5
[M+HCOO]- 312.14526 185.0
[M+CH3COO]- 326.16091 206.4
[M+Na-2H]- 288.12173 162.5
[M]+ 267.14651 168.4
[M]- 267.14761 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.