CID 198840

3458-59-1

Structural Information

Molecular Formula
C18H20N4OS
SMILES
CSC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)CN4CCOCC4
InChI
InChI=1S/C18H20N4OS/c1-24-15-5-3-14(4-6-15)17-16(13-21-9-11-23-12-10-21)22-8-2-7-19-18(22)20-17/h2-8H,9-13H2,1H3
InChIKey
XIBLXVSJZDIAHO-UHFFFAOYSA-N
Compound name
4-[[2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14305 178.5
[M+Na]+ 363.12499 188.0
[M-H]- 339.12849 184.6
[M+NH4]+ 358.16959 188.7
[M+K]+ 379.09893 182.4
[M+H-H2O]+ 323.13303 168.3
[M+HCOO]- 385.13397 190.2
[M+CH3COO]- 399.14962 188.4
[M+Na-2H]- 361.11044 180.0
[M]+ 340.13522 180.6
[M]- 340.13632 180.6
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.