CID 42176

57227-30-2

Structural Information

Molecular Formula
C36H48N4O3
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C36H48N4O3/c1-3-20-40(21-4-2)36(42)34(37-35(41)32-14-9-6-10-15-32)28-30-16-18-33(19-17-30)43-27-11-22-38-23-25-39(26-24-38)29-31-12-7-5-8-13-31/h5-10,12-19,34H,3-4,11,20-29H2,1-2H3,(H,37,41)
InChIKey
CLIIXGXTFJZMTG-UHFFFAOYSA-N
Compound name
N-[3-[4-[3-(4-benzylpiperazin-1-yl)propoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.3726 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.37988 247.0
[M+Na]+ 607.36182 242.1
[M-H]- 583.36532 254.0
[M+NH4]+ 602.40642 245.0
[M+K]+ 623.33576 236.8
[M+H-H2O]+ 567.36986 231.3
[M+HCOO]- 629.37080 259.3
[M+CH3COO]- 643.38645 265.5
[M+Na-2H]- 605.34727 242.0
[M]+ 584.37205 245.7
[M]- 584.37315 245.7
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

No patent data available for this compound.