CID 462586

5-(4-perhydro-2h-pyran-2-yloxyphenylthio)quinazoline-2,4-diamine

Structural Information

Molecular Formula
C19H20N4O2S
SMILES
C1CCOC(C1)OC2=CC=C(C=C2)SC3=CC=CC4=C3C(=NC(=N4)N)N
InChI
InChI=1S/C19H20N4O2S/c20-18-17-14(22-19(21)23-18)4-3-5-15(17)26-13-9-7-12(8-10-13)25-16-6-1-2-11-24-16/h3-5,7-10,16H,1-2,6,11H2,(H4,20,21,22,23)
InChIKey
NOYLOOBHZVZMEL-UHFFFAOYSA-N
Compound name
5-[4-(oxan-2-yloxy)phenyl]sulfanylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.1307 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13798 183.4
[M+Na]+ 391.11992 189.9
[M-H]- 367.12342 190.3
[M+NH4]+ 386.16452 191.8
[M+K]+ 407.09386 184.3
[M+H-H2O]+ 351.12796 172.9
[M+HCOO]- 413.12890 195.8
[M+CH3COO]- 427.14455 191.9
[M+Na-2H]- 389.10537 186.7
[M]+ 368.13015 181.2
[M]- 368.13125 181.2
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.