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]+ 354.13832 179.9
[M+Na]+ 376.12026 186.9
[M-H]- 352.12376 184.4
[M+NH4]+ 371.16486 187.0
[M+K]+ 392.09420 179.5
[M+H-H2O]+ 336.12830 169.6
[M+HCOO]- 398.12924 189.7
[M+CH3COO]- 412.14489 187.7
[M+Na-2H]- 374.10571 183.2
[M]+ 353.13049 174.9
[M]- 353.13159 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.