CID 206701

28469-09-2

Structural Information

Molecular Formula
C9H12N4S
SMILES
CC1=CSC(=N1)N2C=C(C=N2)N(C)C
InChI
InChI=1S/C9H12N4S/c1-7-6-14-9(11-7)13-5-8(4-10-13)12(2)3/h4-6H,1-3H3
InChIKey
JQKUCHNKMMSUJU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07826 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08554 142.9
[M+Na]+ 231.06748 154.8
[M-H]- 207.07098 149.3
[M+NH4]+ 226.11208 163.2
[M+K]+ 247.04142 152.9
[M+H-H2O]+ 191.07552 135.2
[M+HCOO]- 253.07646 164.7
[M+CH3COO]- 267.09211 157.6
[M+Na-2H]- 229.05293 144.3
[M]+ 208.07771 148.8
[M]- 208.07881 148.8
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.