CID 44249598

660837-08-1

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

75
Patents

282.0939 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10118 161.7
[M+Na]+ 305.08312 171.2
[M-H]- 281.08662 169.6
[M+NH4]+ 300.12772 176.7
[M+K]+ 321.05706 164.6
[M+H-H2O]+ 265.09116 152.9
[M+HCOO]- 327.09210 182.0
[M+CH3COO]- 341.10775 173.7
[M+Na-2H]- 303.06857 164.4
[M]+ 282.09335 161.8
[M]- 282.09445 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