CID 3065213

107314-45-4

Structural Information

Molecular Formula
C28H33N5O2
SMILES
CNC(=O)NC1=CC=C(C=C1)N2CCN(C(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)CCC(=O)N
InChI
InChI=1S/C28H33N5O2/c1-30-28(35)31-23-12-14-24(15-13-23)33-19-18-32(17-16-26(29)34)25(20-33)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,25,27H,16-20H2,1H3,(H2,29,34)(H2,30,31,35)
InChIKey
JOCRUALROAETRI-UHFFFAOYSA-N
Compound name
3-[2-benzhydryl-4-[4-(methylcarbamoylamino)phenyl]piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.26343 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.27071 214.5
[M+Na]+ 494.25265 213.8
[M-H]- 470.25615 221.9
[M+NH4]+ 489.29725 216.8
[M+K]+ 510.22659 207.7
[M+H-H2O]+ 454.26069 201.1
[M+HCOO]- 516.26163 229.7
[M+CH3COO]- 530.27728 244.2
[M+Na-2H]- 492.23810 213.4
[M]+ 471.26288 207.5
[M]- 471.26398 207.5
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.