CID 462585

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

Structural Information

Molecular Formula
C20H22N4S
SMILES
C1CCC(CC1)C2=CC=C(C=C2)SC3=CC=CC4=C3C(=NC(=N4)N)N
InChI
InChI=1S/C20H22N4S/c21-19-18-16(23-20(22)24-19)7-4-8-17(18)25-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h4,7-13H,1-3,5-6H2,(H4,21,22,23,24)
InChIKey
SSOHVGQVOVPALY-UHFFFAOYSA-N
Compound name
5-(4-cyclohexylphenyl)sulfanylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.15652 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.16380 179.9
[M+Na]+ 373.14574 186.2
[M-H]- 349.14924 186.0
[M+NH4]+ 368.19034 190.5
[M+K]+ 389.11968 178.1
[M+H-H2O]+ 333.15378 169.8
[M+HCOO]- 395.15472 192.4
[M+CH3COO]- 409.17037 188.3
[M+Na-2H]- 371.13119 182.1
[M]+ 350.15597 174.8
[M]- 350.15707 174.8
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.