CID 42189

Cr 702

Structural Information

Molecular Formula
C28H40N4O3
SMILES
CCCCNC(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)C)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C28H40N4O3/c1-3-4-15-29-28(34)26(30-27(33)24-9-6-5-7-10-24)22-23-11-13-25(14-12-23)35-21-8-16-32-19-17-31(2)18-20-32/h5-7,9-14,26H,3-4,8,15-22H2,1-2H3,(H,29,34)(H,30,33)
InChIKey
BFLBJTHABXASLS-UHFFFAOYSA-N
Compound name
N-[1-(butylamino)-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

480.31003 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.31731 220.7
[M+Na]+ 503.29925 218.6
[M-H]- 479.30275 224.7
[M+NH4]+ 498.34385 223.5
[M+K]+ 519.27319 213.7
[M+H-H2O]+ 463.30729 207.7
[M+HCOO]- 525.30823 234.6
[M+CH3COO]- 539.32388 244.0
[M+Na-2H]- 501.28470 217.9
[M]+ 480.30948 218.7
[M]- 480.31058 218.7
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.