CID 42218

Cr 731

Structural Information

Molecular Formula
C32H47ClN4O3
SMILES
CCCCN(CCCC)C(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)C)NC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C32H47ClN4O3/c1-4-6-18-37(19-7-5-2)32(39)30(34-31(38)28-11-8-9-12-29(28)33)25-26-13-15-27(16-14-26)40-24-10-17-36-22-20-35(3)21-23-36/h8-9,11-16,30H,4-7,10,17-25H2,1-3H3,(H,34,38)
InChIKey
GCPMKAZZYPXRKU-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(dibutylamino)-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

570.3337 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.34098 244.1
[M+Na]+ 593.32292 242.0
[M-H]- 569.32642 249.0
[M+NH4]+ 588.36752 245.0
[M+K]+ 609.29686 236.3
[M+H-H2O]+ 553.33096 230.9
[M+HCOO]- 615.33190 252.6
[M+CH3COO]- 629.34755 262.8
[M+Na-2H]- 591.30837 237.4
[M]+ 570.33315 247.7
[M]- 570.33425 247.7
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.