CID 3004307

Nsc644222

Structural Information

Molecular Formula
C15H19N7OS
SMILES
C1C2CC3CC1CC(C2)C3NC4=NC(=NC(=N4)N)C5=NNC(=S)O5
InChI
InChI=1S/C15H19N7OS/c16-13-18-11(12-21-22-15(24)23-12)19-14(20-13)17-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H,22,24)(H3,16,17,18,19,20)
InChIKey
RUMATYRTPPSHFC-UHFFFAOYSA-N
Compound name
5-[4-(2-adamantylamino)-6-amino-1,3,5-triazin-2-yl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.13718 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.14446 166.0
[M+Na]+ 368.12640 171.2
[M-H]- 344.12990 161.1
[M+NH4]+ 363.17100 178.0
[M+K]+ 384.10034 167.2
[M+H-H2O]+ 328.13444 158.2
[M+HCOO]- 390.13538 165.8
[M+CH3COO]- 404.15103 172.2
[M+Na-2H]- 366.11185 174.2
[M]+ 345.13663 167.8
[M]- 345.13773 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.