CID 47296

64124-18-1

Structural Information

Molecular Formula
C14H24N6O4
SMILES
CN(C)C1=NC(=NC(=N1)CNCCOC(=O)CCC(=O)O)N(C)C
InChI
InChI=1S/C14H24N6O4/c1-19(2)13-16-10(17-14(18-13)20(3)4)9-15-7-8-24-12(23)6-5-11(21)22/h15H,5-9H2,1-4H3,(H,21,22)
InChIKey
BJQIVDQCCBCLSX-UHFFFAOYSA-N
Compound name
4-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methylamino]ethoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1859 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19318 178.3
[M+Na]+ 363.17512 184.6
[M+NH4]+ 358.21972 180.4
[M+K]+ 379.14906 183.0
[M-H]- 339.17862 176.8
[M+Na-2H]- 361.16057 180.2
[M]+ 340.18535 178.0
[M]- 340.18645 178.0
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.