CID 42205

57227-95-9

Structural Information

Molecular Formula
C28H40ClN3O3
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C28H40ClN3O3/c1-5-17-32(18-6-2)28(34)26(30-27(33)23-11-13-24(29)14-12-23)21-22-9-15-25(16-10-22)35-20-19-31(7-3)8-4/h9-16,26H,5-8,17-21H2,1-4H3,(H,30,33)
InChIKey
ZPMPHPFHLFNTML-UHFFFAOYSA-N
Compound name
4-chloro-N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.27582 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.28310 230.4
[M+Na]+ 524.26504 230.6
[M-H]- 500.26854 237.5
[M+NH4]+ 519.30964 237.9
[M+K]+ 540.23898 227.2
[M+H-H2O]+ 484.27308 220.0
[M+HCOO]- 546.27402 247.5
[M+CH3COO]- 560.28967 256.3
[M+Na-2H]- 522.25049 225.4
[M]+ 501.27527 238.8
[M]- 501.27637 238.8
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

patents stripe