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

7
Patents

302.1478 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15508 169.2
[M+Na]+ 325.13702 171.5
[M-H]- 301.14052 165.5
[M+NH4]+ 320.18162 181.6
[M+K]+ 341.11096 169.9
[M+H-H2O]+ 285.14506 162.7
[M+HCOO]- 347.14600 188.3
[M+CH3COO]- 361.16165 203.0
[M+Na-2H]- 323.12247 171.0
[M]+ 302.14725 171.4
[M]- 302.14835 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