CID 5467348

Nsc650974

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC(C)CNC(=O)/C=C/C#CCC1=CC=C(C=C1)OC
InChI
InChI=1S/C17H21NO2/c1-14(2)13-18-17(19)8-6-4-5-7-15-9-11-16(20-3)12-10-15/h6,8-12,14H,7,13H2,1-3H3,(H,18,19)/b8-6+
InChIKey
VZUQSPWNQZCGLI-SOFGYWHQSA-N
Compound name
(E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hex-2-en-4-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 169.0
[M+Na]+ 294.14645 176.3
[M-H]- 270.14995 170.3
[M+NH4]+ 289.19105 183.3
[M+K]+ 310.12039 171.3
[M+H-H2O]+ 254.15449 156.0
[M+HCOO]- 316.15543 185.2
[M+CH3COO]- 330.17108 207.1
[M+Na-2H]- 292.13190 169.1
[M]+ 271.15668 164.9
[M]- 271.15778 164.9
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.