CID 5347983

315184-78-2

Structural Information

Molecular Formula
C19H25N3S
SMILES
CC1=CC(=C(C=C1)CN2CCN(CC2)/N=C/C3=C(C=CS3)C)C
InChI
InChI=1S/C19H25N3S/c1-15-4-5-18(17(3)12-15)14-21-7-9-22(10-8-21)20-13-19-16(2)6-11-23-19/h4-6,11-13H,7-10,14H2,1-3H3/b20-13+
InChIKey
YERKOSLZJSQSEU-DEDYPNTBSA-N
Compound name
(E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(3-methylthiophen-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

327.1769 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.184176 179.6
[M+Na]+ 350.166118 186.7
[M-H]- 326.169624 187.8
[M+NH4]+ 345.210723 194.1
[M+K]+ 366.140058 180.7
[M+H-H2O]+ 310.174160 170.1
[M+HCOO]- 372.175101 195.4
[M+CH3COO]- 386.190751 189.9
[M+Na-2H]- 348.151566 176.9
[M]+ 327.17635142 179.8
[M]- 327.17744858 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.