CID 462583

Chembl123061

Structural Information

Molecular Formula
C19H22N4S
SMILES
CCC(C)(C)C1=CC=C(C=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C19H22N4S/c1-4-19(2,3)12-8-10-13(11-9-12)24-15-7-5-6-14-16(15)17(20)23-18(21)22-14/h5-11H,4H2,1-3H3,(H4,20,21,22,23)
InChIKey
HXDHEULRTMAZGX-UHFFFAOYSA-N
Compound name
5-[4-(2-methylbutan-2-yl)phenyl]sulfanylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.15652 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16380 181.8
[M+Na]+ 361.14574 190.4
[M-H]- 337.14924 186.0
[M+NH4]+ 356.19034 193.8
[M+K]+ 377.11968 183.0
[M+H-H2O]+ 321.15378 173.0
[M+HCOO]- 383.15472 195.8
[M+CH3COO]- 397.17037 191.3
[M+Na-2H]- 359.13119 185.2
[M]+ 338.15597 182.4
[M]- 338.15707 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.