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]+ 259.14412 164.9
[M+Na]+ 281.12606 172.5
[M-H]- 257.12956 166.6
[M+NH4]+ 276.17066 179.3
[M+K]+ 297.10000 168.4
[M+H-H2O]+ 241.13410 152.0
[M+HCOO]- 303.13504 182.4
[M+CH3COO]- 317.15069 208.6
[M+Na-2H]- 279.11151 165.4
[M]+ 258.13629 159.8
[M]- 258.13739 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.