CID 1189232

371927-69-4

Structural Information

Molecular Formula
C20H15N3O2S
SMILES
COC(=O)C1=CC=CC=C1SC2=C(N=C3N2C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C20H15N3O2S/c1-25-19(24)15-10-5-6-11-16(15)26-18-17(14-8-3-2-4-9-14)22-20-21-12-7-13-23(18)20/h2-13H,1H3
InChIKey
UKGRHTMVPYIDRC-UHFFFAOYSA-N
Compound name
methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

361.0885 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.095776 184.3
[M+Na]+ 384.077718 195.2
[M-H]- 360.081224 192.2
[M+NH4]+ 379.122323 196.1
[M+K]+ 400.051658 188.4
[M+H-H2O]+ 344.085760 174.4
[M+HCOO]- 406.086701 200.8
[M+CH3COO]- 420.102351 195.1
[M+Na-2H]- 382.063166 186.7
[M]+ 361.08795142 190.1
[M]- 361.08904858 190.1
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.