CID 3859169

2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine

Structural Information

Molecular Formula
C14H9ClN4S
SMILES
C1=CC=C2C(=C1)C(=NN3C2=NC(=C3)C4=CC=C(S4)Cl)N
InChI
InChI=1S/C14H9ClN4S/c15-12-6-5-11(20-12)10-7-19-14(17-10)9-4-2-1-3-8(9)13(16)18-19/h1-7H,(H2,16,18)
InChIKey
ZJKMPHYUVJSMLJ-UHFFFAOYSA-N
Compound name
2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.02365 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03093 164.3
[M+Na]+ 323.01287 180.2
[M-H]- 299.01637 171.2
[M+NH4]+ 318.05747 183.2
[M+K]+ 338.98681 172.6
[M+H-H2O]+ 283.02091 157.7
[M+HCOO]- 345.02185 179.9
[M+CH3COO]- 359.03750 178.0
[M+Na-2H]- 320.99832 167.7
[M]+ 300.02310 172.0
[M]- 300.02420 172.0
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

No patent data available for this compound.