CID 680767

Schembl18980780

Structural Information

Molecular Formula
C16H12ClN3S
SMILES
C1=CC=C(C=C1)C=NNC2=NC(=CS2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H12ClN3S/c17-14-8-6-13(7-9-14)15-11-21-16(19-15)20-18-10-12-4-2-1-3-5-12/h1-11H,(H,19,20)
InChIKey
FPHQYBHFAYWQOC-UHFFFAOYSA-N
Compound name
N-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

313.04404 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.05132 170.1
[M+Na]+ 336.03326 179.7
[M-H]- 312.03676 180.4
[M+NH4]+ 331.07786 186.7
[M+K]+ 352.00720 172.3
[M+H-H2O]+ 296.04130 161.7
[M+HCOO]- 358.04224 188.8
[M+CH3COO]- 372.05789 182.4
[M+Na-2H]- 334.01871 173.5
[M]+ 313.04349 173.7
[M]- 313.04459 173.7
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