CID 5766137

493030-60-7

Structural Information

Molecular Formula
C18H21N3O2
SMILES
C1COCCN1CCNC(=O)/C(=C/C=C/C2=CC=CC=C2)/C#N
InChI
InChI=1S/C18H21N3O2/c19-15-17(8-4-7-16-5-2-1-3-6-16)18(22)20-9-10-21-11-13-23-14-12-21/h1-8H,9-14H2,(H,20,22)/b7-4+,17-8+
InChIKey
NIIAIYUMEWFTTM-AQHRCUNFSA-N
Compound name
(2E,4E)-2-cyano-N-(2-morpholin-4-ylethyl)-5-phenylpenta-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1634 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 182.4
[M+Na]+ 334.15262 191.4
[M+NH4]+ 329.19722 184.7
[M+K]+ 350.12656 181.5
[M-H]- 310.15612 178.3
[M+Na-2H]- 332.13807 183.7
[M]+ 311.16285 181.3
[M]- 311.16395 181.3
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.