CID 24843776

91098-66-7

Structural Information

Molecular Formula
C25H35N3O
SMILES
CCC(=O)N(C1=CC=CC(=C1)C)C(C)CN2CCN(CC2)CCC3=CC=CC=C3
InChI
InChI=1S/C25H35N3O/c1-4-25(29)28(24-12-8-9-21(2)19-24)22(3)20-27-17-15-26(16-18-27)14-13-23-10-6-5-7-11-23/h5-12,19,22H,4,13-18,20H2,1-3H3
InChIKey
ODILWCDNVOREGX-UHFFFAOYSA-N
Compound name
N-(3-methylphenyl)-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

393.278 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.28528 201.4
[M+Na]+ 416.26722 202.0
[M-H]- 392.27072 207.3
[M+NH4]+ 411.31182 209.1
[M+K]+ 432.24116 197.4
[M+H-H2O]+ 376.27526 189.0
[M+HCOO]- 438.27620 216.1
[M+CH3COO]- 452.29185 229.7
[M+Na-2H]- 414.25267 199.2
[M]+ 393.27745 198.8
[M]- 393.27855 198.8
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.