CID 165744673

2751621-72-2

Structural Information

Molecular Formula
C16H22N4O5
SMILES
COC1=C(C=C(C=C1)NC(=O)CCOCCN)N2CCC(=O)NC2=O
InChI
InChI=1S/C16H22N4O5/c1-24-13-3-2-11(18-15(22)5-8-25-9-6-17)10-12(13)20-7-4-14(21)19-16(20)23/h2-3,10H,4-9,17H2,1H3,(H,18,22)(H,19,21,23)
InChIKey
CTOLGUKWSPLUDG-UHFFFAOYSA-N
Compound name
3-(2-aminoethoxy)-N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxyphenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.15903 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.16631 180.7
[M+Na]+ 373.14825 184.8
[M-H]- 349.15175 182.3
[M+NH4]+ 368.19285 189.2
[M+K]+ 389.12219 181.5
[M+H-H2O]+ 333.15629 170.9
[M+HCOO]- 395.15723 197.9
[M+CH3COO]- 409.17288 215.5
[M+Na-2H]- 371.13370 180.8
[M]+ 350.15848 178.9
[M]- 350.15958 178.9
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.