CID 462595

5-(4-aminophenyl)sulfanylquinazoline-2,4-diamine

Structural Information

Molecular Formula
C14H13N5S
SMILES
C1=CC2=C(C(=C1)SC3=CC=C(C=C3)N)C(=NC(=N2)N)N
InChI
InChI=1S/C14H13N5S/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,15H2,(H4,16,17,18,19)
InChIKey
IUTPNKUONYHHJO-UHFFFAOYSA-N
Compound name
5-(4-aminophenyl)sulfanylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.08917 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09645 160.4
[M+Na]+ 306.07839 170.3
[M-H]- 282.08189 164.8
[M+NH4]+ 301.12299 174.1
[M+K]+ 322.05233 162.9
[M+H-H2O]+ 266.08643 152.0
[M+HCOO]- 328.08737 178.1
[M+CH3COO]- 342.10302 171.4
[M+Na-2H]- 304.06384 165.5
[M]+ 283.08862 158.5
[M]- 283.08972 158.5
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.