CID 348633

N-acetyl-n'-propionyl-1,4-phenylenediamine

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CCC(=O)NC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C11H14N2O2/c1-3-11(15)13-10-6-4-9(5-7-10)12-8(2)14/h4-7H,3H2,1-2H3,(H,12,14)(H,13,15)
InChIKey
PGHIKXBWQOWBHM-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

206.10553 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 146.1
[M+Na]+ 229.09475 152.0
[M-H]- 205.09825 149.8
[M+NH4]+ 224.13935 164.5
[M+K]+ 245.06869 150.4
[M+H-H2O]+ 189.10279 139.5
[M+HCOO]- 251.10373 170.9
[M+CH3COO]- 265.11938 191.1
[M+Na-2H]- 227.08020 150.6
[M]+ 206.10498 145.6
[M]- 206.10608 145.6
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

patents stripe