CID 3065210

107314-37-4

Structural Information

Molecular Formula
C28H34N4O
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H34N4O/c1-30(2)26-15-13-25(14-16-26)29-27(33)17-18-31-19-21-32(22-20-31)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,28H,17-22H2,1-2H3,(H,29,33)
InChIKey
HTCIKKIIFKURTE-UHFFFAOYSA-N
Compound name
3-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylamino)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

442.27325 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.28053 210.1
[M+Na]+ 465.26247 209.5
[M-H]- 441.26597 218.7
[M+NH4]+ 460.30707 214.5
[M+K]+ 481.23641 203.8
[M+H-H2O]+ 425.27051 196.1
[M+HCOO]- 487.27145 225.8
[M+CH3COO]- 501.28710 215.4
[M+Na-2H]- 463.24792 209.8
[M]+ 442.27270 205.1
[M]- 442.27380 205.1
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

patents stripe