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]+ 340.14781 179.7
[M+Na]+ 362.12975 188.9
[M-H]- 338.13325 186.1
[M+NH4]+ 357.17435 192.8
[M+K]+ 378.10369 183.0
[M+H-H2O]+ 322.13779 169.9
[M+HCOO]- 384.13873 196.2
[M+CH3COO]- 398.15438 190.4
[M+Na-2H]- 360.11520 182.7
[M]+ 339.13998 185.2
[M]- 339.14108 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.