CID 42185

Cr 736

Structural Information

Molecular Formula
C27H38N4O3
SMILES
CCN(CC)C(=O)C(CC1=CC=C(C=C1)OCCN2CCN(CC2)C)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H38N4O3/c1-4-31(5-2)27(33)25(28-26(32)23-9-7-6-8-10-23)21-22-11-13-24(14-12-22)34-20-19-30-17-15-29(3)16-18-30/h6-14,25H,4-5,15-21H2,1-3H3,(H,28,32)
InChIKey
WFZRNCWFAASKCD-UHFFFAOYSA-N
Compound name
N-[1-(diethylamino)-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.2944 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.30168 217.0
[M+Na]+ 489.28362 215.5
[M-H]- 465.28712 222.7
[M+NH4]+ 484.32822 221.0
[M+K]+ 505.25756 212.2
[M+H-H2O]+ 449.29166 204.1
[M+HCOO]- 511.29260 231.7
[M+CH3COO]- 525.30825 244.2
[M+Na-2H]- 487.26907 213.9
[M]+ 466.29385 216.0
[M]- 466.29495 216.0
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.