CID 3078414

121033-13-4

Structural Information

Molecular Formula
C23H32N4O5
SMILES
CCNCC(=O)NC1=CC=CC=C1OCC(COC2=CC=CC=C2NC(=O)CNCC)O
InChI
InChI=1S/C23H32N4O5/c1-3-24-13-22(29)26-18-9-5-7-11-20(18)31-15-17(28)16-32-21-12-8-6-10-19(21)27-23(30)14-25-4-2/h5-12,17,24-25,28H,3-4,13-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKey
UATKJYKRVZJSIE-UHFFFAOYSA-N
Compound name
2-(ethylamino)-N-[2-[3-[2-[[2-(ethylamino)acetyl]amino]phenoxy]-2-hydroxypropoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.23727 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.24455 205.7
[M+Na]+ 467.22649 205.0
[M-H]- 443.22999 209.5
[M+NH4]+ 462.27109 211.9
[M+K]+ 483.20043 202.9
[M+H-H2O]+ 427.23453 194.8
[M+HCOO]- 489.23547 227.8
[M+CH3COO]- 503.25112 240.1
[M+Na-2H]- 465.21194 206.0
[M]+ 444.23672 207.4
[M]- 444.23782 207.4
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

No patent data available for this compound.