CID 13827169

6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,2,3,4-tetrahydroquinazolin-2-one

Structural Information

Molecular Formula
C12H12N4OS
SMILES
CN1CC2=C(C=CC(=C2)C3=CSC(=N3)N)NC1=O
InChI
InChI=1S/C12H12N4OS/c1-16-5-8-4-7(10-6-18-11(13)14-10)2-3-9(8)15-12(16)17/h2-4,6H,5H2,1H3,(H2,13,14)(H,15,17)
InChIKey
YECFCLHDNOLZIB-UHFFFAOYSA-N
Compound name
6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,4-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07318 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08046 156.9
[M+Na]+ 283.06240 167.2
[M-H]- 259.06590 159.7
[M+NH4]+ 278.10700 172.5
[M+K]+ 299.03634 160.9
[M+H-H2O]+ 243.07044 149.6
[M+HCOO]- 305.07138 170.3
[M+CH3COO]- 319.08703 168.1
[M+Na-2H]- 281.04785 158.0
[M]+ 260.07263 155.2
[M]- 260.07373 155.2
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.