CID 113598

Einecs 309-978-6

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 204.8
[M+Na]+ 427.23159 223.6
[M-H]- 403.23509 218.8
[M+NH4]+ 422.27619 217.6
[M+K]+ 443.20553 217.1
[M+H-H2O]+ 387.23963 207.7
[M+HCOO]- 449.24057 194.6
[M+CH3COO]- 463.25622 240.1
[M+Na-2H]- 425.21704 202.1
[M]+ 404.24182 196.4
[M]- 404.24292 196.4
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