CID 5347766

303102-32-1

Structural Information

Molecular Formula
C19H22ClN3
SMILES
CC1=CC=CC=C1/C=N/N2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClN3/c1-16-4-2-3-5-18(16)14-21-23-12-10-22(11-13-23)15-17-6-8-19(20)9-7-17/h2-9,14H,10-13,15H2,1H3/b21-14+
InChIKey
UIOPAVMKFJOFCQ-KGENOOAVSA-N
Compound name
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.15024 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.157516 180.1
[M+Na]+ 350.139458 186.2
[M-H]- 326.142964 186.9
[M+NH4]+ 345.184063 192.1
[M+K]+ 366.113398 179.0
[M+H-H2O]+ 310.147500 168.9
[M+HCOO]- 372.148441 195.0
[M+CH3COO]- 386.164091 189.5
[M+Na-2H]- 348.124906 182.9
[M]+ 327.14969142 178.5
[M]- 327.15078858 178.5
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.