CID 512376

N1,n4-bis[4-[2-(cyclohexylamino)ethylamino]butyl]terephthalamide

Structural Information

Molecular Formula
C32H56N6O2
SMILES
C1CCC(CC1)NCCNCCCCNC(=O)C2=CC=C(C=C2)C(=O)NCCCCNCCNC3CCCCC3
InChI
InChI=1S/C32H56N6O2/c39-31(37-21-9-7-19-33-23-25-35-29-11-3-1-4-12-29)27-15-17-28(18-16-27)32(40)38-22-10-8-20-34-24-26-36-30-13-5-2-6-14-30/h15-18,29-30,33-36H,1-14,19-26H2,(H,37,39)(H,38,40)
InChIKey
LCLAHJCRFAKHPS-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-[2-(cyclohexylamino)ethylamino]butyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.4465 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.45378 226.5
[M+Na]+ 579.43572 216.1
[M-H]- 555.43922 230.2
[M+NH4]+ 574.48032 227.3
[M+K]+ 595.40966 211.7
[M+H-H2O]+ 539.44376 213.7
[M+HCOO]- 601.44470 242.4
[M+CH3COO]- 615.46035 268.5
[M+Na-2H]- 577.42117 224.2
[M]+ 556.44595 217.3
[M]- 556.44705 217.3
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.