CID 3058597

4-methoxy-beta-(4-methoxyphenyl)-2-methyl-5-(1-methylethyl)benzenepentanamide

Structural Information

Molecular Formula
C23H31NO3
SMILES
CC1=CC(=C(C=C1CCC(CC(=O)N)C2=CC=C(C=C2)OC)C(C)C)OC
InChI
InChI=1S/C23H31NO3/c1-15(2)21-13-18(16(3)12-22(21)27-5)6-7-19(14-23(24)25)17-8-10-20(26-4)11-9-17/h8-13,15,19H,6-7,14H2,1-5H3,(H2,24,25)
InChIKey
BSMYEKSJMTUKLK-UHFFFAOYSA-N
Compound name
5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.2304 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.23768 193.9
[M+Na]+ 392.21962 198.5
[M-H]- 368.22312 199.7
[M+NH4]+ 387.26422 205.8
[M+K]+ 408.19356 195.3
[M+H-H2O]+ 352.22766 185.1
[M+HCOO]- 414.22860 213.3
[M+CH3COO]- 428.24425 225.9
[M+Na-2H]- 390.20507 190.0
[M]+ 369.22985 197.7
[M]- 369.23095 197.7
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.