CID 879250

Cbmicro_044557

Structural Information

Molecular Formula
C19H25N3S
SMILES
CC1=CC(=C(C=C1)CN2CCN(CC2)N=CC3=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
InChIKey
YERKOSLZJSQSEU-UHFFFAOYSA-N
Compound name
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]+ 328.18418 179.9
[M+Na]+ 350.16612 192.9
[M+NH4]+ 345.21072 188.7
[M+K]+ 366.14006 183.7
[M-H]- 326.16962 186.4
[M+Na-2H]- 348.15157 187.6
[M]+ 327.17635 184.1
[M]- 327.17745 184.1
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

No patent data available for this compound.