CID 3012225

5-(tetralin-6-ylsulfanylmethyl)furo[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C17H18N4OS
SMILES
C1CCC2=C(C1)C=CC(=C2)SCC3=COC4=NC(=NC(=C34)N)N
InChI
InChI=1S/C17H18N4OS/c18-15-14-12(8-22-16(14)21-17(19)20-15)9-23-13-6-5-10-3-1-2-4-11(10)7-13/h5-8H,1-4,9H2,(H4,18,19,20,21)
InChIKey
SRVHCNWTEWWECT-UHFFFAOYSA-N
Compound name
5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12740 171.5
[M+Na]+ 349.10934 181.4
[M-H]- 325.11284 177.7
[M+NH4]+ 344.15394 185.5
[M+K]+ 365.08328 175.6
[M+H-H2O]+ 309.11738 163.6
[M+HCOO]- 371.11832 186.7
[M+CH3COO]- 385.13397 182.3
[M+Na-2H]- 347.09479 175.2
[M]+ 326.11957 172.7
[M]- 326.12067 172.7
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.