CID 42181

Cr 711

Structural Information

Molecular Formula
C26H37N3O3
SMILES
CCNC(=O)C(CC1=CC=C(C=C1)OCCN(C(C)C)C(C)C)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C26H37N3O3/c1-6-27-26(31)24(28-25(30)22-10-8-7-9-11-22)18-21-12-14-23(15-13-21)32-17-16-29(19(2)3)20(4)5/h7-15,19-20,24H,6,16-18H2,1-5H3,(H,27,31)(H,28,30)
InChIKey
SLLQYEHNQJNGJZ-UHFFFAOYSA-N
Compound name
N-[3-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-1-(ethylamino)-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 214.5
[M+Na]+ 462.27270 213.1
[M-H]- 438.27620 220.4
[M+NH4]+ 457.31730 222.5
[M+K]+ 478.24664 211.8
[M+H-H2O]+ 422.28074 203.9
[M+HCOO]- 484.28168 234.2
[M+CH3COO]- 498.29733 244.7
[M+Na-2H]- 460.25815 210.1
[M]+ 439.28293 216.8
[M]- 439.28403 216.8
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

patents stripe