CID 42212

Cr 714

Structural Information

Molecular Formula
C26H35ClN4O3
SMILES
CCNC(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)C)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H35ClN4O3/c1-3-28-26(33)24(29-25(32)21-7-9-22(27)10-8-21)19-20-5-11-23(12-6-20)34-18-4-13-31-16-14-30(2)15-17-31/h5-12,24H,3-4,13-19H2,1-2H3,(H,28,33)(H,29,32)
InChIKey
IOPAUDUTHASBEW-UHFFFAOYSA-N
Compound name
4-chloro-N-[1-(ethylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.23978 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.24706 219.7
[M+Na]+ 509.22900 229.7
[M+NH4]+ 504.27360 224.1
[M+K]+ 525.20294 222.4
[M-H]- 485.23250 224.0
[M+Na-2H]- 507.21445 225.1
[M]+ 486.23923 222.2
[M]- 486.24033 222.2
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.