CID 51479

72017-27-7

Structural Information

Molecular Formula
C25H43N3O6
SMILES
CCCCOC1=C(C=CC=C1OC)CCN(CCOC(=O)NCCC)CCOC(=O)NCCC
InChI
InChI=1S/C25H43N3O6/c1-5-8-18-32-23-21(10-9-11-22(23)31-4)12-15-28(16-19-33-24(29)26-13-6-2)17-20-34-25(30)27-14-7-3/h9-11H,5-8,12-20H2,1-4H3,(H,26,29)(H,27,30)
InChIKey
LHJYPOXVVYJDHU-UHFFFAOYSA-N
Compound name
2-[2-(2-butoxy-3-methoxyphenyl)ethyl-[2-(propylcarbamoyloxy)ethyl]amino]ethyl N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.3152 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.32248 222.5
[M+Na]+ 504.30442 221.7
[M-H]- 480.30792 225.0
[M+NH4]+ 499.34902 236.7
[M+K]+ 520.27836 221.4
[M+H-H2O]+ 464.31246 211.7
[M+HCOO]- 526.31340 244.7
[M+CH3COO]- 540.32905 249.5
[M+Na-2H]- 502.28987 219.3
[M]+ 481.31465 233.3
[M]- 481.31575 233.3
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.