CID 45358872

57227-09-5

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H28N2O3/c1-3-14-24(15-4-2)22(27)20(16-17-10-12-19(25)13-11-17)23-21(26)18-8-6-5-7-9-18/h5-13,20,25H,3-4,14-16H2,1-2H3,(H,23,26)
InChIKey
VIXHHPJUMYBSCY-UHFFFAOYSA-N
Compound name
N-[1-(dipropylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 192.8
[M+Na]+ 391.19922 194.3
[M-H]- 367.20272 198.1
[M+NH4]+ 386.24382 203.6
[M+K]+ 407.17316 191.4
[M+H-H2O]+ 351.20726 183.3
[M+HCOO]- 413.20820 213.5
[M+CH3COO]- 427.22385 223.8
[M+Na-2H]- 389.18467 191.8
[M]+ 368.20945 193.8
[M]- 368.21055 193.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe