CID 452527

4benzothien-6thien-2nhetnme2pyr

Structural Information

Molecular Formula
C20H20N4S2
SMILES
CN(C)CCNC1=NC(=CC(=N1)C2=CC3=CC=CC=C3S2)C4=CC=CS4
InChI
InChI=1S/C20H20N4S2/c1-24(2)10-9-21-20-22-15(18-8-5-11-25-18)13-16(23-20)19-12-14-6-3-4-7-17(14)26-19/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23)
InChIKey
OYVVEJNCLMIDQC-UHFFFAOYSA-N
Compound name
N-[4-(1-benzothiophen-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.11295 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12023 185.3
[M+Na]+ 403.10217 196.1
[M-H]- 379.10567 196.0
[M+NH4]+ 398.14677 200.9
[M+K]+ 419.07611 189.4
[M+H-H2O]+ 363.11021 177.9
[M+HCOO]- 425.11115 202.1
[M+CH3COO]- 439.12680 196.8
[M+Na-2H]- 401.08762 186.1
[M]+ 380.11240 192.1
[M]- 380.11350 192.1
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.