CID 63743

18619-72-2

Structural Information

Molecular Formula
C20H23N3OS
SMILES
CCN(CC)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C20H23N3OS/c1-3-22(4-2)14-15-25-20-21-18-13-9-8-12-17(18)19(24)23(20)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3
InChIKey
XOBCSDULXSVUGF-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethylsulfanyl]-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

353.1562 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16348 183.6
[M+Na]+ 376.14542 191.4
[M-H]- 352.14892 189.4
[M+NH4]+ 371.19002 195.8
[M+K]+ 392.11936 185.3
[M+H-H2O]+ 336.15346 173.3
[M+HCOO]- 398.15440 199.8
[M+CH3COO]- 412.17005 193.6
[M+Na-2H]- 374.13087 186.8
[M]+ 353.15565 188.9
[M]- 353.15675 188.9
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

patents stripe