CID 3043361

Ethyl n-(4-chloro-6-(2-dimethylaminoethylamino)-5-(methylthio)-2-pyrimidinyl)-n-methylglycine

Structural Information

Molecular Formula
C14H24ClN5O2S
SMILES
CCOC(=O)CN(C)C1=NC(=C(C(=N1)Cl)SC)NCCN(C)C
InChI
InChI=1S/C14H24ClN5O2S/c1-6-22-10(21)9-20(4)14-17-12(15)11(23-5)13(18-14)16-7-8-19(2)3/h6-9H2,1-5H3,(H,16,17,18)
InChIKey
XPSRAJZJTHSCNL-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-chloro-6-[2-(dimethylamino)ethylamino]-5-methylsulfanylpyrimidin-2-yl]-methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1339 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14118 184.5
[M+Na]+ 384.12312 193.3
[M+NH4]+ 379.16772 189.9
[M+K]+ 400.09706 186.4
[M-H]- 360.12662 186.0
[M+Na-2H]- 382.10857 187.9
[M]+ 361.13335 186.5
[M]- 361.13445 186.5
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.

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No patent data available for this compound.