CID 462606

Chembl420721

Structural Information

Molecular Formula
C20H24N4OS
SMILES
CCOC1=C(C2=C(C=C1)N=C(N=C2N)N)SC3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C20H24N4OS/c1-5-25-15-11-10-14-16(18(21)24-19(22)23-14)17(15)26-13-8-6-12(7-9-13)20(2,3)4/h6-11H,5H2,1-4H3,(H4,21,22,23,24)
InChIKey
RFTIUPXCCSMUID-UHFFFAOYSA-N
Compound name
5-(4-tert-butylphenyl)sulfanyl-6-ethoxyquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.16708 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17436 190.8
[M+Na]+ 391.15630 199.5
[M-H]- 367.15980 195.2
[M+NH4]+ 386.20090 201.8
[M+K]+ 407.13024 192.7
[M+H-H2O]+ 351.16434 181.8
[M+HCOO]- 413.16528 204.5
[M+CH3COO]- 427.18093 223.1
[M+Na-2H]- 389.14175 193.1
[M]+ 368.16653 193.4
[M]- 368.16763 193.4
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.