CID 135953951

949743-80-0

Structural Information

Molecular Formula
C17H16Cl2N4O2S
SMILES
CCN(CC1=NC2=C(C(=O)N1)SC=C2)CC(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H16Cl2N4O2S/c1-2-23(8-13-20-12-6-7-26-16(12)17(25)21-13)9-14(24)22-15-10(18)4-3-5-11(15)19/h3-7H,2,8-9H2,1H3,(H,22,24)(H,20,21,25)
InChIKey
KQFNSAMIGSUVHU-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

410.0371 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.04438 189.7
[M+Na]+ 433.02632 200.0
[M-H]- 409.02982 195.3
[M+NH4]+ 428.07092 202.3
[M+K]+ 449.00026 192.6
[M+H-H2O]+ 393.03436 182.7
[M+HCOO]- 455.03530 198.6
[M+CH3COO]- 469.05095 199.6
[M+Na-2H]- 431.01177 190.5
[M]+ 410.03655 198.0
[M]- 410.03765 198.0
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

patents stripe