CID 21681002

Schembl1353459

Structural Information

Molecular Formula
C19H19NO
SMILES
C#CC#CCC/C=C/C=C/C(=O)NCCC1=CC=CC=C1
InChI
InChI=1S/C19H19NO/c1-2-3-4-5-6-7-8-12-15-19(21)20-17-16-18-13-10-9-11-14-18/h1,7-15H,5-6,16-17H2,(H,20,21)/b8-7+,15-12+
InChIKey
NYVJFZJCDZTINK-GHKBDNCUSA-N
Compound name
(2E,4E)-N-(2-phenylethyl)undeca-2,4-dien-8,10-diynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.14667 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15395 178.4
[M+Na]+ 300.13589 186.5
[M-H]- 276.13939 179.4
[M+NH4]+ 295.18049 188.4
[M+K]+ 316.10983 178.8
[M+H-H2O]+ 260.14393 163.2
[M+HCOO]- 322.14487 187.1
[M+CH3COO]- 336.16052 220.6
[M+Na-2H]- 298.12134 177.1
[M]+ 277.14612 169.6
[M]- 277.14722 169.6
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