CID 113598

101810-92-8

Structural Information

Molecular Formula
C21H32N4O4
SMILES
CC(=C)C(=O)NC(CCCC(NC(=O)C(=C)C)NC(=O)C(=C)C)NC(=O)C(=C)C
InChI
InChI=1S/C21H32N4O4/c1-12(2)18(26)22-16(23-19(27)13(3)4)10-9-11-17(24-20(28)14(5)6)25-21(29)15(7)8/h16-17H,1,3,5,7,9-11H2,2,4,6,8H3,(H,22,26)(H,23,27)(H,24,28)(H,25,29)
InChIKey
HZCZYBXRDUQHHO-UHFFFAOYSA-N
Compound name
2-methyl-N-[1,5,5-tris(2-methylprop-2-enoylamino)pentyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

404.24237 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.24965 214.1
[M+Na]+ 427.23159 228.3
[M+NH4]+ 422.27619 223.1
[M+K]+ 443.20553 222.7
[M-H]- 403.23509 225.7
[M+Na-2H]- 425.21704 225.1
[M]+ 404.24182 219.8
[M]- 404.24292 219.8
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