CID 3315689

N(1),n(2)-bis(1-(1-naphthyl)ethyl)phthalamide

Structural Information

Molecular Formula
C32H28N2O2
SMILES
CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=CC=C3C(=O)NC(C)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C32H28N2O2/c1-21(25-19-9-13-23-11-3-5-15-27(23)25)33-31(35)29-17-7-8-18-30(29)32(36)34-22(2)26-20-10-14-24-12-4-6-16-28(24)26/h3-22H,1-2H3,(H,33,35)(H,34,36)
InChIKey
ZMWFESMAERVXOZ-UHFFFAOYSA-N
Compound name
1-N,2-N-bis(1-naphthalen-1-ylethyl)benzene-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.2151 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.22238 216.4
[M+Na]+ 495.20432 219.2
[M-H]- 471.20782 226.2
[M+NH4]+ 490.24892 223.8
[M+K]+ 511.17826 212.8
[M+H-H2O]+ 455.21236 204.4
[M+HCOO]- 517.21330 234.4
[M+CH3COO]- 531.22895 222.9
[M+Na-2H]- 493.18977 218.7
[M]+ 472.21455 215.7
[M]- 472.21565 215.7
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.