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]+ 292.111436 165.0
[M+Na]+ 314.093378 173.8
[M-H]- 290.096884 166.5
[M+NH4]+ 309.137983 179.3
[M+K]+ 330.067318 168.5
[M+H-H2O]+ 274.101420 157.1
[M+HCOO]- 336.102361 180.1
[M+CH3COO]- 350.118011 204.0
[M+Na-2H]- 312.078826 167.4
[M]+ 291.10361142 169.0
[M]- 291.10470858 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.