CID 33900

27471-59-6

Structural Information

Molecular Formula
C22H28N2O4
SMILES
COC1=CC=C(C=C1)OCC(=O)N(CCN2CCCC2)C3=CC=CC=C3OC
InChI
InChI=1S/C22H28N2O4/c1-26-18-9-11-19(12-10-18)28-17-22(25)24(16-15-23-13-5-6-14-23)20-7-3-4-8-21(20)27-2/h3-4,7-12H,5-6,13-17H2,1-2H3
InChIKey
BJCFQZOFDDHTBI-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.212176 193.0
[M+Na]+ 407.194118 195.6
[M-H]- 383.197624 201.6
[M+NH4]+ 402.238723 204.4
[M+K]+ 423.168058 193.6
[M+H-H2O]+ 367.202160 182.3
[M+HCOO]- 429.203101 214.1
[M+CH3COO]- 443.218751 223.0
[M+Na-2H]- 405.179566 192.0
[M]+ 384.20435142 196.1
[M]- 384.20544858 196.1
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.