CID 44150426

2-propenamide, n,n'-[[2,2-bis(hydroxymethyl)-1,3-propanediyl]bis(oxymethylene)]bis-

Structural Information

Molecular Formula
C13H22N2O6
SMILES
C=CC(=O)NCOCC(CO)(CO)COCNC(=O)C=C
InChI
InChI=1S/C13H22N2O6/c1-3-11(18)14-9-20-7-13(5-16,6-17)8-21-10-15-12(19)4-2/h3-4,16-17H,1-2,5-10H2,(H,14,18)(H,15,19)
InChIKey
QFNMALAPRQGEBL-UHFFFAOYSA-N
Compound name
N-[[2,2-bis(hydroxymethyl)-3-[(prop-2-enoylamino)methoxy]propoxy]methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

302.1478 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.155076 169.2
[M+Na]+ 325.137018 171.5
[M-H]- 301.140524 165.5
[M+NH4]+ 320.181623 181.6
[M+K]+ 341.110958 169.9
[M+H-H2O]+ 285.145060 162.7
[M+HCOO]- 347.146001 188.3
[M+CH3COO]- 361.161651 203.0
[M+Na-2H]- 323.122466 171.0
[M]+ 302.14725142 171.4
[M]- 302.14834858 171.4
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

patents stripe