CID 202531

Terephthalamide, n,n'-bis(1-methyl-4-piperidylmethyl)-, hemihydrate

Structural Information

Molecular Formula
C22H34N4O2
SMILES
CN1CCC(CC1)CNC(=O)C2=CC=C(C=C2)C(=O)NCC3CCN(CC3)C
InChI
InChI=1S/C22H34N4O2/c1-25-11-7-17(8-12-25)15-23-21(27)19-3-5-20(6-4-19)22(28)24-16-18-9-13-26(2)14-10-18/h3-6,17-18H,7-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKey
KOYCEBSRPACDCD-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[(1-methylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2682 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.27548 197.8
[M+Na]+ 409.25742 205.9
[M+NH4]+ 404.30202 203.2
[M+K]+ 425.23136 199.6
[M-H]- 385.26092 202.2
[M+Na-2H]- 407.24287 202.2
[M]+ 386.26765 199.6
[M]- 386.26875 199.6
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.