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]+ 209.085536 142.9
[M+Na]+ 231.067478 154.8
[M-H]- 207.070984 149.3
[M+NH4]+ 226.112083 163.2
[M+K]+ 247.041418 152.9
[M+H-H2O]+ 191.075520 135.2
[M+HCOO]- 253.076461 164.7
[M+CH3COO]- 267.092111 157.6
[M+Na-2H]- 229.052926 144.3
[M]+ 208.07771142 148.8
[M]- 208.07880858 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.