CID 462590

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

Structural Information

Molecular Formula
C14H11BrN4S
SMILES
C1=CC2=C(C(=C1)SC3=CC=C(C=C3)Br)C(=NC(=N2)N)N
InChI
InChI=1S/C14H11BrN4S/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,(H4,16,17,18,19)
InChIKey
VDGOQYRSERCBNW-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)sulfanylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.98877 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.99605 158.7
[M+Na]+ 368.97799 171.8
[M-H]- 344.98149 165.9
[M+NH4]+ 364.02259 174.3
[M+K]+ 384.95193 156.8
[M+H-H2O]+ 328.98603 156.8
[M+HCOO]- 390.98697 174.0
[M+CH3COO]- 405.00262 171.9
[M+Na-2H]- 366.96344 165.6
[M]+ 345.98822 176.9
[M]- 345.98932 176.9
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.