CID 63682

134616-07-2

Structural Information

Molecular Formula
C14H19N3OS
SMILES
CN1C(=O)C2=CC=CC=C2N=C1SCCCN(C)C
InChI
InChI=1S/C14H19N3OS/c1-16(2)9-6-10-19-14-15-12-8-5-4-7-11(12)13(18)17(14)3/h4-5,7-8H,6,9-10H2,1-3H3
InChIKey
DYAFRMJSINPXRE-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)propylsulfanyl]-3-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12488 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13216 163.1
[M+Na]+ 300.11410 176.6
[M+NH4]+ 295.15870 171.3
[M+K]+ 316.08804 167.1
[M-H]- 276.11760 166.0
[M+Na-2H]- 298.09955 169.1
[M]+ 277.12433 166.3
[M]- 277.12543 166.3
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.