CID 3065212

1-piperazinepropanamide, n-(4-aminophenyl)-4-(diphenylmethyl)-

Structural Information

Molecular Formula
C26H30N4O
SMILES
C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)N)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H30N4O/c27-23-11-13-24(14-12-23)28-25(31)15-16-29-17-19-30(20-18-29)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,26H,15-20,27H2,(H,28,31)
InChIKey
ULWMXXNOHYKBCZ-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)-3-(4-benzhydrylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

414.24197 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.24925 201.4
[M+Na]+ 437.23119 201.7
[M-H]- 413.23469 208.6
[M+NH4]+ 432.27579 206.3
[M+K]+ 453.20513 194.8
[M+H-H2O]+ 397.23923 188.2
[M+HCOO]- 459.24017 216.8
[M+CH3COO]- 473.25582 207.0
[M+Na-2H]- 435.21664 202.0
[M]+ 414.24142 193.7
[M]- 414.24252 193.7
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

patents stripe