CID 42202

Cr 709

Structural Information

Molecular Formula
C29H43N3O3
SMILES
CCCCNC(=O)C(CC1=CC=C(C=C1)OCCN(C(C)C)C(C)C)NC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C29H43N3O3/c1-7-8-17-30-29(34)27(31-28(33)25-13-9-23(6)10-14-25)20-24-11-15-26(16-12-24)35-19-18-32(21(2)3)22(4)5/h9-16,21-22,27H,7-8,17-20H2,1-6H3,(H,30,34)(H,31,33)
InChIKey
HHWGDEFWNKIOBB-UHFFFAOYSA-N
Compound name
N-[1-(butylamino)-3-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-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

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.33772 227.8
[M+Na]+ 504.31966 226.0
[M-H]- 480.32316 233.5
[M+NH4]+ 499.36426 234.3
[M+K]+ 520.29360 224.2
[M+H-H2O]+ 464.32770 216.9
[M+HCOO]- 526.32864 246.5
[M+CH3COO]- 540.34429 254.6
[M+Na-2H]- 502.30511 221.2
[M]+ 481.32989 231.5
[M]- 481.33099 231.5
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.