CID 462588

5-(4-morpholin-2-ylphenyl)sulfanylquinazoline-2,4-diamine

Structural Information

Molecular Formula
C18H19N5OS
SMILES
C1COC(CN1)C2=CC=C(C=C2)SC3=CC=CC4=C3C(=NC(=N4)N)N
InChI
InChI=1S/C18H19N5OS/c19-17-16-13(22-18(20)23-17)2-1-3-15(16)25-12-6-4-11(5-7-12)14-10-21-8-9-24-14/h1-7,14,21H,8-10H2,(H4,19,20,22,23)
InChIKey
WWMOBPRMHHBFKJ-UHFFFAOYSA-N
Compound name
5-(4-morpholin-2-ylphenyl)sulfanylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.13104 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.138316 179.9
[M+Na]+ 376.120258 186.9
[M-H]- 352.123764 184.4
[M+NH4]+ 371.164863 187.0
[M+K]+ 392.094198 179.5
[M+H-H2O]+ 336.128300 169.6
[M+HCOO]- 398.129241 189.7
[M+CH3COO]- 412.144891 187.7
[M+Na-2H]- 374.105706 183.2
[M]+ 353.13049142 174.9
[M]- 353.13158858 174.9
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.