CID 390615

Nsc688143

Structural Information

Molecular Formula
C15H24N4O4
SMILES
CN(C)C1=CC(=NC(=C1)CNCC(=O)OC)CNCC(=O)OC
InChI
InChI=1S/C15H24N4O4/c1-19(2)13-5-11(7-16-9-14(20)22-3)18-12(6-13)8-17-10-15(21)23-4/h5-6,16-17H,7-10H2,1-4H3
InChIKey
YGPXRNQOVNRWOL-UHFFFAOYSA-N
Compound name
methyl 2-[[4-(dimethylamino)-6-[[(2-methoxy-2-oxoethyl)amino]methyl]pyridin-2-yl]methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.17975 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.18703 177.2
[M+Na]+ 347.16897 181.1
[M-H]- 323.17247 180.4
[M+NH4]+ 342.21357 189.7
[M+K]+ 363.14291 181.2
[M+H-H2O]+ 307.17701 167.9
[M+HCOO]- 369.17795 201.2
[M+CH3COO]- 383.19360 220.0
[M+Na-2H]- 345.15442 178.9
[M]+ 324.17920 182.3
[M]- 324.18030 182.3
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.