CID 42195

Cr 615

Structural Information

Molecular Formula
C27H39N3O3
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(C)C)NC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C27H39N3O3/c1-6-16-30(17-7-2)27(32)25(28-26(31)23-12-8-21(3)9-13-23)20-22-10-14-24(15-11-22)33-19-18-29(4)5/h8-15,25H,6-7,16-20H2,1-5H3,(H,28,31)
InChIKey
WCSICYSXQCRDFJ-UHFFFAOYSA-N
Compound name
N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.29913 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.306406 219.4
[M+Na]+ 476.288348 219.1
[M-H]- 452.291854 226.7
[M+NH4]+ 471.332953 227.8
[M+K]+ 492.262288 217.8
[M+H-H2O]+ 436.296390 208.2
[M+HCOO]- 498.297331 241.2
[M+CH3COO]- 512.312981 250.3
[M+Na-2H]- 474.273796 215.2
[M]+ 453.29858142 224.8
[M]- 453.29967858 224.8
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

No patent data available for this compound.