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 197.1
[M+Na]+ 409.25742 196.2
[M-H]- 385.26092 201.4
[M+NH4]+ 404.30202 204.2
[M+K]+ 425.23136 191.8
[M+H-H2O]+ 369.26546 185.5
[M+HCOO]- 431.26640 209.5
[M+CH3COO]- 445.28205 226.1
[M+Na-2H]- 407.24287 194.3
[M]+ 386.26765 188.6
[M]- 386.26875 188.6
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.