CID 446245

5-[(4-methylphenyl)sulfanyl]-2,4-quinazolinediamine

Structural Information

Molecular Formula
C15H14N4S
SMILES
CC1=CC=C(C=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
InChIKey
UOJFGEAPSYQDIP-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)sulfanylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

52
Patents

282.0939 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10118 162.4
[M+Na]+ 305.08312 172.6
[M-H]- 281.08662 167.1
[M+NH4]+ 300.12772 176.7
[M+K]+ 321.05706 165.4
[M+H-H2O]+ 265.09116 153.9
[M+HCOO]- 327.09210 179.3
[M+CH3COO]- 341.10775 173.6
[M+Na-2H]- 303.06857 167.0
[M]+ 282.09335 162.3
[M]- 282.09445 162.3
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

patents stripe