CID 63681

134615-98-8

Structural Information

Molecular Formula
C19H21N3OS
SMILES
CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCN(C)C
InChI
InChI=1S/C19H21N3OS/c1-14-8-4-7-11-17(14)22-18(23)15-9-5-6-10-16(15)20-19(22)24-13-12-21(2)3/h4-11H,12-13H2,1-3H3
InChIKey
FAKHLVPRHFORJP-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14053 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.147806 179.7
[M+Na]+ 362.129748 188.9
[M-H]- 338.133254 186.1
[M+NH4]+ 357.174353 192.8
[M+K]+ 378.103688 183.0
[M+H-H2O]+ 322.137790 169.9
[M+HCOO]- 384.138731 196.2
[M+CH3COO]- 398.154381 190.4
[M+Na-2H]- 360.115196 182.7
[M]+ 339.13998142 185.2
[M]- 339.14107858 185.2
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.