CID 735256

10255-99-9

Structural Information

Molecular Formula
C17H18N2O2
SMILES
C1=CC=C(C=C1)CNC(=O)CC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C17H18N2O2/c20-16(18-12-14-7-3-1-4-8-14)11-17(21)19-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21)
InChIKey
RHHVWHPMKFVUGF-UHFFFAOYSA-N
Compound name
N,N'-dibenzylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

39
Patents

282.13684 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 166.4
[M+Na]+ 305.12606 169.9
[M-H]- 281.12956 172.2
[M+NH4]+ 300.17066 180.7
[M+K]+ 321.10000 166.2
[M+H-H2O]+ 265.13410 157.7
[M+HCOO]- 327.13504 190.6
[M+CH3COO]- 341.15069 203.8
[M+Na-2H]- 303.11151 171.2
[M]+ 282.13629 165.1
[M]- 282.13739 165.1
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

patents stripe