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 179.6
[M+Na]+ 350.16612 186.7
[M-H]- 326.16962 187.8
[M+NH4]+ 345.21072 194.1
[M+K]+ 366.14006 180.7
[M+H-H2O]+ 310.17416 170.1
[M+HCOO]- 372.17510 195.4
[M+CH3COO]- 386.19075 189.9
[M+Na-2H]- 348.15157 176.9
[M]+ 327.17635 179.8
[M]- 327.17745 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.