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]+ 354.217606 186.8
[M+Na]+ 376.199548 188.6
[M-H]- 352.203054 190.8
[M+NH4]+ 371.244153 194.8
[M+K]+ 392.173488 183.3
[M+H-H2O]+ 336.207590 175.7
[M+HCOO]- 398.208531 201.2
[M+CH3COO]- 412.224181 214.5
[M+Na-2H]- 374.184996 187.2
[M]+ 353.20978142 181.4
[M]- 353.21087858 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.