CID 462584

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

Structural Information

Molecular Formula
C20H24N4S
SMILES
CCCCCCC1=CC=C(C=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C20H24N4S/c1-2-3-4-5-7-14-10-12-15(13-11-14)25-17-9-6-8-16-18(17)19(21)24-20(22)23-16/h6,8-13H,2-5,7H2,1H3,(H4,21,22,23,24)
InChIKey
IWRRIZAWPMWTEI-UHFFFAOYSA-N
Compound name
5-(4-hexylphenyl)sulfanylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.17218 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17946 183.4
[M+Na]+ 375.16140 191.3
[M-H]- 351.16490 187.1
[M+NH4]+ 370.20600 194.8
[M+K]+ 391.13534 183.0
[M+H-H2O]+ 335.16944 173.8
[M+HCOO]- 397.17038 198.7
[M+CH3COO]- 411.18603 192.4
[M+Na-2H]- 373.14685 185.6
[M]+ 352.17163 184.9
[M]- 352.17273 184.9
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.