CID 816994

52222-40-9

Structural Information

Molecular Formula
C7H12N4S
SMILES
CN(C)C1=NC(=NC(=C1)N)SC
InChI
InChI=1S/C7H12N4S/c1-11(2)6-4-5(8)9-7(10-6)12-3/h4H,1-3H3,(H2,8,9,10)
InChIKey
ZULDDUZNIUUNKV-UHFFFAOYSA-N
Compound name
4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

184.07826 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08554 137.7
[M+Na]+ 207.06748 146.7
[M-H]- 183.07098 140.4
[M+NH4]+ 202.11208 155.9
[M+K]+ 223.04142 144.5
[M+H-H2O]+ 167.07552 130.2
[M+HCOO]- 229.07646 156.8
[M+CH3COO]- 243.09211 189.2
[M+Na-2H]- 205.05293 141.3
[M]+ 184.07771 139.5
[M]- 184.07881 139.5
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

patents stripe