CID 44249598

1143459-92-0

Structural Information

Molecular Formula
C15H14N4S
SMILES
CC1=C(C=C(C=C1)N)NC2=NC(=CS2)C3=CN=CC=C3
InChI
InChI=1S/C15H14N4S/c1-10-4-5-12(16)7-13(10)18-15-19-14(9-20-15)11-3-2-6-17-8-11/h2-9H,16H2,1H3,(H,18,19)
InChIKey
JKQOCRHWVAAVFB-UHFFFAOYSA-N
Compound name
4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

282.0939 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.101176 161.7
[M+Na]+ 305.083118 171.2
[M-H]- 281.086624 169.6
[M+NH4]+ 300.127723 176.7
[M+K]+ 321.057058 164.6
[M+H-H2O]+ 265.091160 152.9
[M+HCOO]- 327.092101 182.0
[M+CH3COO]- 341.107751 173.7
[M+Na-2H]- 303.068566 164.4
[M]+ 282.09335142 161.8
[M]- 282.09444858 161.8
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

patents stripe