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]+ 185.085536 137.7
[M+Na]+ 207.067478 146.7
[M-H]- 183.070984 140.4
[M+NH4]+ 202.112083 155.9
[M+K]+ 223.041418 144.5
[M+H-H2O]+ 167.075520 130.2
[M+HCOO]- 229.076461 156.8
[M+CH3COO]- 243.092111 189.2
[M+Na-2H]- 205.052926 141.3
[M]+ 184.07771142 139.5
[M]- 184.07880858 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