CID 358883

129242-20-2

Structural Information

Molecular Formula
C20H24N4S2
SMILES
CC1=CN=C(N=C1C2=CC3=CC=CC=C3S2)SCCN4CCN(CC4)C
InChI
InChI=1S/C20H24N4S2/c1-15-14-21-20(25-12-11-24-9-7-23(2)8-10-24)22-19(15)18-13-16-5-3-4-6-17(16)26-18/h3-6,13-14H,7-12H2,1-2H3
InChIKey
KNELXRNFFDSJLO-UHFFFAOYSA-N
Compound name
4-(1-benzothiophen-2-yl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.14423 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15151 186.6
[M+Na]+ 407.13345 196.7
[M-H]- 383.13695 191.8
[M+NH4]+ 402.17805 197.3
[M+K]+ 423.10739 188.2
[M+H-H2O]+ 367.14149 177.7
[M+HCOO]- 429.14243 193.4
[M+CH3COO]- 443.15808 195.5
[M+Na-2H]- 405.11890 184.9
[M]+ 384.14368 189.1
[M]- 384.14478 189.1
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.