CID 42207

Cr 725

Structural Information

Molecular Formula
C30H43ClN4O3
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)C)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C30H43ClN4O3/c1-4-15-35(16-5-2)30(37)28(32-29(36)25-9-11-26(31)12-10-25)23-24-7-13-27(14-8-24)38-22-6-17-34-20-18-33(3)19-21-34/h7-14,28H,4-6,15-23H2,1-3H3,(H,32,36)
InChIKey
DVHCEKUCDBLNDF-UHFFFAOYSA-N
Compound name
4-chloro-N-[1-(dipropylamino)-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

542.30237 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.30965 235.8
[M+Na]+ 565.29159 234.6
[M-H]- 541.29509 241.1
[M+NH4]+ 560.33619 237.9
[M+K]+ 581.26553 229.3
[M+H-H2O]+ 525.29963 223.0
[M+HCOO]- 587.30057 245.0
[M+CH3COO]- 601.31622 257.2
[M+Na-2H]- 563.27704 230.1
[M]+ 542.30182 238.7
[M]- 542.30292 238.7
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.