CID 64895

Cr 740

Structural Information

Molecular Formula
C22H29N3O3
SMILES
CCN(CC)CCOC1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H29N3O3/c1-3-25(4-2)14-15-28-19-12-10-17(11-13-19)16-20(21(23)26)24-22(27)18-8-6-5-7-9-18/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)
InChIKey
PCIUIOOWSCCVDJ-UHFFFAOYSA-N
Compound name
N-[1-amino-3-[4-[2-(diethylamino)ethoxy]phenyl]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

383.2209 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22818 196.3
[M+Na]+ 406.21012 197.2
[M-H]- 382.21362 202.4
[M+NH4]+ 401.25472 206.4
[M+K]+ 422.18406 195.0
[M+H-H2O]+ 366.21816 186.0
[M+HCOO]- 428.21910 218.8
[M+CH3COO]- 442.23475 231.4
[M+Na-2H]- 404.19557 195.3
[M]+ 383.22035 197.5
[M]- 383.22145 197.5
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

patents stripe