CID 59737

Benzamide, n,n-bis(5-(p-aminophenoxy)pentyl)-

Structural Information

Molecular Formula
C29H37N3O3
SMILES
C1=CC=C(C=C1)C(=O)N(CCCCCOC2=CC=C(C=C2)N)CCCCCOC3=CC=C(C=C3)N
InChI
InChI=1S/C29H37N3O3/c30-25-12-16-27(17-13-25)34-22-8-2-6-20-32(29(33)24-10-4-1-5-11-24)21-7-3-9-23-35-28-18-14-26(31)15-19-28/h1,4-5,10-19H,2-3,6-9,20-23,30-31H2
InChIKey
DNCDPVUROCRUCM-UHFFFAOYSA-N
Compound name
N,N-bis[5-(4-aminophenoxy)pentyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.28348 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.29076 220.5
[M+Na]+ 498.27270 220.4
[M-H]- 474.27620 228.3
[M+NH4]+ 493.31730 226.3
[M+K]+ 514.24664 215.6
[M+H-H2O]+ 458.28074 207.9
[M+HCOO]- 520.28168 242.8
[M+CH3COO]- 534.29733 247.4
[M+Na-2H]- 496.25815 219.3
[M]+ 475.28293 222.5
[M]- 475.28403 222.5
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.