CID 389617

Not available

Structural Information

Molecular Formula
C21H27N3O2
SMILES
C1=CC=C(C=C1)C(=O)NCCCCNCCCNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H27N3O2/c25-20(18-10-3-1-4-11-18)23-16-8-7-14-22-15-9-17-24-21(26)19-12-5-2-6-13-19/h1-6,10-13,22H,7-9,14-17H2,(H,23,25)(H,24,26)
InChIKey
LMCPFFPDMJWFKE-UHFFFAOYSA-N
Compound name
N-[4-(3-benzamidopropylamino)butyl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

353.21033 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 186.5
[M+Na]+ 376.19955 187.2
[M-H]- 352.20305 191.3
[M+NH4]+ 371.24415 197.4
[M+K]+ 392.17349 182.8
[M+H-H2O]+ 336.20759 176.4
[M+HCOO]- 398.20853 210.3
[M+CH3COO]- 412.22418 220.9
[M+Na-2H]- 374.18500 189.8
[M]+ 353.20978 185.8
[M]- 353.21088 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.