CID 42197

Cr 807

Structural Information

Molecular Formula
C29H43N3O3
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C29H43N3O3/c1-6-18-32(19-7-2)29(34)27(30-28(33)25-14-10-23(5)11-15-25)22-24-12-16-26(17-13-24)35-21-20-31(8-3)9-4/h10-17,27H,6-9,18-22H2,1-5H3,(H,30,33)
InChIKey
SMIJDLKVYIVGKR-UHFFFAOYSA-N
Compound name
N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.33044 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.33772 228.3
[M+Na]+ 504.31966 227.1
[M-H]- 480.32316 235.2
[M+NH4]+ 499.36426 235.5
[M+K]+ 520.29360 225.4
[M+H-H2O]+ 464.32770 216.8
[M+HCOO]- 526.32864 249.4
[M+CH3COO]- 540.34429 256.0
[M+Na-2H]- 502.30511 223.1
[M]+ 481.32989 234.4
[M]- 481.33099 234.4
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.