CID 9587877

1-piperazinamine, n-((4-chlorophenyl)methylene)-4-((2,4,6-trimethylphenyl)methyl)-, monomethanesulfonate

Structural Information

Molecular Formula
C21H26ClN3
SMILES
CC1=CC(=C(C(=C1)C)CN2CCN(CC2)/N=C/C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C21H26ClN3/c1-16-12-17(2)21(18(3)13-16)15-24-8-10-25(11-9-24)23-14-19-4-6-20(22)7-5-19/h4-7,12-14H,8-11,15H2,1-3H3/b23-14+
InChIKey
VOWOESHYUUKPQJ-OEAKJJBVSA-N
Compound name
(E)-1-(4-chlorophenyl)-N-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.18152 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18880 189.9
[M+Na]+ 378.17074 197.0
[M-H]- 354.17424 197.1
[M+NH4]+ 373.21534 201.4
[M+K]+ 394.14468 189.5
[M+H-H2O]+ 338.17878 178.8
[M+HCOO]- 400.17972 204.1
[M+CH3COO]- 414.19537 199.1
[M+Na-2H]- 376.15619 190.1
[M]+ 355.18097 189.8
[M]- 355.18207 189.8
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.