CID 24843774

91098-56-5

Structural Information

Molecular Formula
C25H35N3O2
SMILES
CCC(=O)N(C1=CC=C(C=C1)OC)C(C)CN2CCN(CC2)CCC3=CC=CC=C3
InChI
InChI=1S/C25H35N3O2/c1-4-25(29)28(23-10-12-24(30-3)13-11-23)21(2)20-27-18-16-26(17-19-27)15-14-22-8-6-5-7-9-22/h5-13,21H,4,14-20H2,1-3H3
InChIKey
JYJHWCWQQRPWIA-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.27292 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.28020 204.3
[M+Na]+ 432.26214 204.7
[M-H]- 408.26564 210.2
[M+NH4]+ 427.30674 211.2
[M+K]+ 448.23608 200.8
[M+H-H2O]+ 392.27018 191.7
[M+HCOO]- 454.27112 219.2
[M+CH3COO]- 468.28677 231.7
[M+Na-2H]- 430.24759 202.2
[M]+ 409.27237 203.1
[M]- 409.27347 203.1
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.