CID 151118

Cpi-1189

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NC(C)(C)C
InChI
InChI=1S/C13H18N2O2/c1-9(16)14-11-7-5-10(6-8-11)12(17)15-13(2,3)4/h5-8H,1-4H3,(H,14,16)(H,15,17)
InChIKey
DJKNRCWSXSZACF-UHFFFAOYSA-N
Compound name
4-acetamido-N-tert-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

792
Patents

234.13683 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.8
[M+Na]+ 257.12605 160.3
[M-H]- 233.12955 158.5
[M+NH4]+ 252.17065 172.3
[M+K]+ 273.09999 158.8
[M+H-H2O]+ 217.13409 148.5
[M+HCOO]- 279.13503 177.4
[M+CH3COO]- 293.15068 196.8
[M+Na-2H]- 255.11150 159.1
[M]+ 234.13628 154.5
[M]- 234.13738 154.5
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