CID 42190

Cr 786

Structural Information

Molecular Formula
C26H37N3O3
SMILES
CCCCNC(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C26H37N3O3/c1-4-7-17-27-26(31)24(28-25(30)22-11-9-8-10-12-22)20-21-13-15-23(16-14-21)32-19-18-29(5-2)6-3/h8-16,24H,4-7,17-20H2,1-3H3,(H,27,31)(H,28,30)
InChIKey
QUIWYJNJVWDLQV-UHFFFAOYSA-N
Compound name
N-[1-(butylamino)-3-[4-[2-(diethylamino)ethoxy]phenyl]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.28348 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.29076 214.0
[M+Na]+ 462.27270 213.1
[M-H]- 438.27620 219.7
[M+NH4]+ 457.31730 222.1
[M+K]+ 478.24664 210.4
[M+H-H2O]+ 422.28074 202.9
[M+HCOO]- 484.28168 235.7
[M+CH3COO]- 498.29733 243.0
[M+Na-2H]- 460.25815 211.9
[M]+ 439.28293 217.4
[M]- 439.28403 217.4
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