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]+ 207.112806 146.1
[M+Na]+ 229.094748 152.0
[M-H]- 205.098254 149.8
[M+NH4]+ 224.139353 164.5
[M+K]+ 245.068688 150.4
[M+H-H2O]+ 189.102790 139.5
[M+HCOO]- 251.103731 170.9
[M+CH3COO]- 265.119381 191.1
[M+Na-2H]- 227.080196 150.6
[M]+ 206.10498142 145.6
[M]- 206.10607858 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