CID 4388282

Pentanediamide, 3-phenyl-

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1=CC=C(C=C1)C(CC(=O)N)CC(=O)N
InChI
InChI=1S/C11H14N2O2/c12-10(14)6-9(7-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
InChIKey
INNIENBZXVVRGC-UHFFFAOYSA-N
Compound name
3-phenylpentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

206.10553 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 147.4
[M+Na]+ 229.09475 151.8
[M-H]- 205.09825 149.6
[M+NH4]+ 224.13935 164.5
[M+K]+ 245.06869 150.0
[M+H-H2O]+ 189.10279 140.5
[M+HCOO]- 251.10373 169.8
[M+CH3COO]- 265.11938 191.0
[M+Na-2H]- 227.08020 149.1
[M]+ 206.10498 143.9
[M]- 206.10608 143.9
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