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 183.5
[M+Na]+ 384.12312 189.5
[M-H]- 360.12662 187.1
[M+NH4]+ 379.16772 195.8
[M+K]+ 400.09706 186.8
[M+H-H2O]+ 344.13116 174.9
[M+HCOO]- 406.13210 197.4
[M+CH3COO]- 420.14775 227.4
[M+Na-2H]- 382.10857 182.9
[M]+ 361.13335 193.0
[M]- 361.13445 193.0
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.