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]+ 394.285276 201.4
[M+Na]+ 416.267218 202.0
[M-H]- 392.270724 207.3
[M+NH4]+ 411.311823 209.1
[M+K]+ 432.241158 197.4
[M+H-H2O]+ 376.275260 189.0
[M+HCOO]- 438.276201 216.1
[M+CH3COO]- 452.291851 229.7
[M+Na-2H]- 414.252666 199.2
[M]+ 393.27745142 198.8
[M]- 393.27854858 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.