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]+ 341.193176 180.0
[M+Na]+ 363.175118 184.1
[M-H]- 339.178624 181.0
[M+NH4]+ 358.219723 189.0
[M+K]+ 379.149058 184.6
[M+H-H2O]+ 323.183160 169.7
[M+HCOO]- 385.184101 200.9
[M+CH3COO]- 399.199751 224.1
[M+Na-2H]- 361.160566 181.9
[M]+ 340.18535142 185.4
[M]- 340.18644858 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.