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
4
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]+ 354.217606 186.5
[M+Na]+ 376.199548 187.2
[M-H]- 352.203054 191.3
[M+NH4]+ 371.244153 197.4
[M+K]+ 392.173488 182.8
[M+H-H2O]+ 336.207590 176.4
[M+HCOO]- 398.208531 210.3
[M+CH3COO]- 412.224181 220.9
[M+Na-2H]- 374.184996 189.8
[M]+ 353.20978142 185.8
[M]- 353.21087858 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.