CID 44129601

2-amino-4-(2,4-dichlorophenyl)-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide

Structural Information

Molecular Formula
C15H12Cl2N4OS
SMILES
CCNC(=O)C1=CC2=C(N=C(N=C2S1)N)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H12Cl2N4OS/c1-2-19-13(22)11-6-9-12(20-15(18)21-14(9)23-11)8-4-3-7(16)5-10(8)17/h3-6H,2H2,1H3,(H,19,22)(H2,18,20,21)
InChIKey
YPEOXUOUTBMBCX-UHFFFAOYSA-N
Compound name
2-amino-4-(2,4-dichlorophenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

366.0109 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01818 180.0
[M+Na]+ 389.00012 192.4
[M-H]- 365.00362 185.5
[M+NH4]+ 384.04472 194.6
[M+K]+ 404.97406 184.4
[M+H-H2O]+ 349.00816 173.5
[M+HCOO]- 411.00910 189.4
[M+CH3COO]- 425.02475 191.0
[M+Na-2H]- 386.98557 180.6
[M]+ 366.01035 186.8
[M]- 366.01145 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe