CID 3062717

98795-93-8

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CN(C)CCOC1=C(C=C(C=C1OC)C(=O)N2CCCC2)OC
InChI
InChI=1S/C17H26N2O4/c1-18(2)9-10-23-16-14(21-3)11-13(12-15(16)22-4)17(20)19-7-5-6-8-19/h11-12H,5-10H2,1-4H3
InChIKey
LXDXWFXXNWUMIT-UHFFFAOYSA-N
Compound name
[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.196546 176.8
[M+Na]+ 345.178488 181.6
[M-H]- 321.181994 183.1
[M+NH4]+ 340.223093 191.8
[M+K]+ 361.152428 181.1
[M+H-H2O]+ 305.186530 168.2
[M+HCOO]- 367.187471 198.3
[M+CH3COO]- 381.203121 213.6
[M+Na-2H]- 343.163936 175.6
[M]+ 322.18872142 181.4
[M]- 322.18981858 181.4
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.