CID 3479968

N,n'-bis(2-aminoethyl)-9-anthrylmethylmalonamide

Structural Information

Molecular Formula
C22H26N4O2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC(C(=O)NCCN)C(=O)NCCN
InChI
InChI=1S/C22H26N4O2/c23-9-11-25-21(27)20(22(28)26-12-10-24)14-19-17-7-3-1-5-15(17)13-16-6-2-4-8-18(16)19/h1-8,13,20H,9-12,14,23-24H2,(H,25,27)(H,26,28)
InChIKey
FNHYUQXAXDFYGE-UHFFFAOYSA-N
Compound name
N,N'-bis(2-aminoethyl)-2-(anthracen-9-ylmethyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20557 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 192.1
[M+Na]+ 401.19479 201.2
[M+NH4]+ 396.23939 198.2
[M+K]+ 417.16873 194.5
[M-H]- 377.19829 196.1
[M+Na-2H]- 399.18024 196.3
[M]+ 378.20502 194.1
[M]- 378.20612 194.1
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.