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 162.1
[M+Na]+ 300.11410 171.3
[M-H]- 276.11760 165.5
[M+NH4]+ 295.15870 178.2
[M+K]+ 316.08804 167.3
[M+H-H2O]+ 260.12214 153.9
[M+HCOO]- 322.12308 178.9
[M+CH3COO]- 336.13873 205.8
[M+Na-2H]- 298.09955 165.7
[M]+ 277.12433 168.2
[M]- 277.12543 168.2
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.