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]+ 467.301676 217.0
[M+Na]+ 489.283618 215.5
[M-H]- 465.287124 222.7
[M+NH4]+ 484.328223 221.0
[M+K]+ 505.257558 212.2
[M+H-H2O]+ 449.291660 204.1
[M+HCOO]- 511.292601 231.7
[M+CH3COO]- 525.308251 244.2
[M+Na-2H]- 487.269066 213.9
[M]+ 466.29385142 216.0
[M]- 466.29494858 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.