CID 132023

3-(n-butyrylamino)benzamide

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CCCC(=O)NC1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C11H14N2O2/c1-2-4-10(14)13-9-6-3-5-8(7-9)11(12)15/h3,5-7H,2,4H2,1H3,(H2,12,15)(H,13,14)
InChIKey
DZYCSRMTMDCDGB-UHFFFAOYSA-N
Compound name
3-(butanoylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

206.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 146.4
[M+Na]+ 229.094748 152.2
[M-H]- 205.098254 149.5
[M+NH4]+ 224.139353 164.4
[M+K]+ 245.068688 150.2
[M+H-H2O]+ 189.102790 139.7
[M+HCOO]- 251.103731 170.5
[M+CH3COO]- 265.119381 191.1
[M+Na-2H]- 227.080196 149.8
[M]+ 206.10498142 144.9
[M]- 206.10607858 144.9
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