CID 3088328

1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-4-methylpiperazine dimaleate hydrate

Structural Information

Molecular Formula
C19H23N3S
SMILES
CN1CCN(CC1)C(=N)CC2=CC=CC=C2SC3=CC=CC=C3
InChI
InChI=1S/C19H23N3S/c1-21-11-13-22(14-12-21)19(20)15-16-7-5-6-10-18(16)23-17-8-3-2-4-9-17/h2-10,20H,11-15H2,1H3
InChIKey
RDTIWOUBPHUTFF-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-2-(2-phenylsulfanylphenyl)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.16125 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16853 176.7
[M+Na]+ 348.15047 181.0
[M-H]- 324.15397 182.4
[M+NH4]+ 343.19507 187.7
[M+K]+ 364.12441 174.2
[M+H-H2O]+ 308.15851 166.4
[M+HCOO]- 370.15945 189.1
[M+CH3COO]- 384.17510 185.2
[M+Na-2H]- 346.13592 177.1
[M]+ 325.16070 172.5
[M]- 325.16180 172.5
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.