CID 462603

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

Structural Information

Molecular Formula
C14H11ClN4S
SMILES
C1=CC=C(C(=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N)Cl
InChI
InChI=1S/C14H11ClN4S/c15-8-4-1-2-6-10(8)20-11-7-3-5-9-12(11)13(16)19-14(17)18-9/h1-7H,(H4,16,17,18,19)
InChIKey
SJYJKIPCFDAMLD-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)sulfanylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.0393 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04658 163.8
[M+Na]+ 325.02852 175.1
[M-H]- 301.03202 168.5
[M+NH4]+ 320.07312 178.2
[M+K]+ 341.00246 166.8
[M+H-H2O]+ 285.03656 156.2
[M+HCOO]- 347.03750 176.5
[M+CH3COO]- 361.05315 175.1
[M+Na-2H]- 323.01397 168.5
[M]+ 302.03875 165.5
[M]- 302.03985 165.5
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.