CID 209266

19644-91-8

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CC1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=O)C(C)N3CCNCC3
InChI
InChI=1S/C21H27N3O2/c1-16-6-8-18(9-7-16)15-26-20-5-3-4-19(14-20)23-21(25)17(2)24-12-10-22-11-13-24/h3-9,14,17,22H,10-13,15H2,1-2H3,(H,23,25)
InChIKey
ZVSKBMIOWRMIDK-UHFFFAOYSA-N
Compound name
N-[3-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 186.8
[M+Na]+ 376.19955 188.6
[M-H]- 352.20305 190.8
[M+NH4]+ 371.24415 194.8
[M+K]+ 392.17349 183.3
[M+H-H2O]+ 336.20759 175.7
[M+HCOO]- 398.20853 201.2
[M+CH3COO]- 412.22418 214.5
[M+Na-2H]- 374.18500 187.2
[M]+ 353.20978 181.4
[M]- 353.21088 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.