CID 3024895

2-thiazolamine, 4-phenyl-5-(3-pyridinyl)-

Structural Information

Molecular Formula
C14H11N3S
SMILES
C1=CC=C(C=C1)C2=C(SC(=N2)N)C3=CN=CC=C3
InChI
InChI=1S/C14H11N3S/c15-14-17-12(10-5-2-1-3-6-10)13(18-14)11-7-4-8-16-9-11/h1-9H,(H2,15,17)
InChIKey
VFAYLGGSYZLDFQ-UHFFFAOYSA-N
Compound name
4-phenyl-5-pyridin-3-yl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.06737 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07465 154.1
[M+Na]+ 276.05659 164.2
[M-H]- 252.06009 161.8
[M+NH4]+ 271.10119 170.4
[M+K]+ 292.03053 158.0
[M+H-H2O]+ 236.06463 145.7
[M+HCOO]- 298.06557 173.8
[M+CH3COO]- 312.08122 166.8
[M+Na-2H]- 274.04204 157.1
[M]+ 253.06682 154.1
[M]- 253.06792 154.1
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