CID 52079

73664-66-1

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C)CC#C
InChI
InChI=1S/C15H18N2O2/c1-4-6-12-7-8-13(17-11(3)18)10-14(12)15(19)16-9-5-2/h1,7-8,10H,5-6,9H2,2-3H3,(H,16,19)(H,17,18)
InChIKey
VJMRZMBFPSTEMZ-UHFFFAOYSA-N
Compound name
5-acetamido-N-propyl-2-prop-2-ynylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 164.9
[M+Na]+ 281.126058 172.5
[M-H]- 257.129564 166.6
[M+NH4]+ 276.170663 179.3
[M+K]+ 297.099998 168.4
[M+H-H2O]+ 241.134100 152.0
[M+HCOO]- 303.135041 182.4
[M+CH3COO]- 317.150691 208.6
[M+Na-2H]- 279.111506 165.4
[M]+ 258.13629142 159.8
[M]- 258.13738858 159.8
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

No patent data available for this compound.