CID 3044743

1,3,5-triazin-2-amine, n,4-dimethyl-6-(ethylthio)-

Structural Information

Molecular Formula
C7H12N4S
SMILES
CCSC1=NC(=NC(=N1)NC)C
InChI
InChI=1S/C7H12N4S/c1-4-12-7-10-5(2)9-6(8-3)11-7/h4H2,1-3H3,(H,8,9,10,11)
InChIKey
UYUYHXZGBCQIBZ-UHFFFAOYSA-N
Compound name
4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.07826 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.085536 137.9
[M+Na]+ 207.067478 147.8
[M-H]- 183.070984 138.2
[M+NH4]+ 202.112083 154.8
[M+K]+ 223.041418 144.5
[M+H-H2O]+ 167.075520 130.3
[M+HCOO]- 229.076461 155.0
[M+CH3COO]- 243.092111 184.4
[M+Na-2H]- 205.052926 142.7
[M]+ 184.07771142 140.7
[M]- 184.07880858 140.7
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