CID 2595247

Acetamide, 2-((3,4-dihydro-3-butyl-4-oxo-2-quinazolinyl)thio)-

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N
InChI
InChI=1S/C14H17N3O2S/c1-2-3-8-17-13(19)10-6-4-5-7-11(10)16-14(17)20-9-12(15)18/h4-7H,2-3,8-9H2,1H3,(H2,15,18)
InChIKey
DGNLABJZQCRQNT-UHFFFAOYSA-N
Compound name
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10416 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11144 165.0
[M+Na]+ 314.09338 173.8
[M-H]- 290.09688 166.5
[M+NH4]+ 309.13798 179.3
[M+K]+ 330.06732 168.5
[M+H-H2O]+ 274.10142 157.1
[M+HCOO]- 336.10236 180.1
[M+CH3COO]- 350.11801 204.0
[M+Na-2H]- 312.07883 167.4
[M]+ 291.10361 169.0
[M]- 291.10471 169.0
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.