CID 42178

Cr 738

Structural Information

Molecular Formula
C24H33N3O3
SMILES
CCN(CC)CCOC1=CC=C(C=C1)CC(C(=O)N(C)C)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H33N3O3/c1-5-27(6-2)16-17-30-21-14-12-19(13-15-21)18-22(24(29)26(3)4)25-23(28)20-10-8-7-9-11-20/h7-15,22H,5-6,16-18H2,1-4H3,(H,25,28)
InChIKey
IRNNJVXARXXMJX-UHFFFAOYSA-N
Compound name
N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.2522 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.25948 205.9
[M+Na]+ 434.24142 206.1
[M-H]- 410.24492 213.5
[M+NH4]+ 429.28602 215.8
[M+K]+ 450.21536 205.2
[M+H-H2O]+ 394.24946 195.1
[M+HCOO]- 456.25040 228.8
[M+CH3COO]- 470.26605 240.4
[M+Na-2H]- 432.22687 204.0
[M]+ 411.25165 209.9
[M]- 411.25275 209.9
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.