CID 165605381

2751611-73-9

Structural Information

Molecular Formula
C20H30N4O7
SMILES
COC1=C(C=CC(=C1)NC(=O)CCOCCOCCOCCN)N2CCC(=O)NC2=O
InChI
InChI=1S/C20H30N4O7/c1-28-17-14-15(2-3-16(17)24-7-4-18(25)23-20(24)27)22-19(26)5-8-29-10-12-31-13-11-30-9-6-21/h2-3,14H,4-13,21H2,1H3,(H,22,26)(H,23,25,27)
InChIKey
CEJUNVOBRMQDJV-UHFFFAOYSA-N
Compound name
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxyphenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.21146 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.21874 200.3
[M+Na]+ 461.20068 201.8
[M-H]- 437.20418 200.9
[M+NH4]+ 456.24528 204.7
[M+K]+ 477.17462 199.4
[M+H-H2O]+ 421.20872 189.2
[M+HCOO]- 483.20966 216.3
[M+CH3COO]- 497.22531 231.9
[M+Na-2H]- 459.18613 199.1
[M]+ 438.21091 202.6
[M]- 438.21201 202.6
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.