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 180.0
[M+Na]+ 363.17512 184.1
[M-H]- 339.17862 181.0
[M+NH4]+ 358.21972 189.0
[M+K]+ 379.14906 184.6
[M+H-H2O]+ 323.18316 169.7
[M+HCOO]- 385.18410 200.9
[M+CH3COO]- 399.19975 224.1
[M+Na-2H]- 361.16057 181.9
[M]+ 340.18535 185.4
[M]- 340.18645 185.4
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

No patent data available for this compound.