CID 28958

18189-55-4

Structural Information

Molecular Formula
C15H21N3O3
SMILES
CC(=O)NC1=CC=C(C(=O)C=C1)NCCN2CCOCC2
InChI
InChI=1S/C15H21N3O3/c1-12(19)17-13-2-4-14(15(20)5-3-13)16-6-7-18-8-10-21-11-9-18/h2-5H,6-11H2,1H3,(H,16,20)(H,17,19)
InChIKey
GHBHPRNDCVLMOU-UHFFFAOYSA-N
Compound name
N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1583 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16558 171.5
[M+Na]+ 314.14752 179.0
[M+NH4]+ 309.19212 176.5
[M+K]+ 330.12146 175.2
[M-H]- 290.15102 175.1
[M+Na-2H]- 312.13297 175.6
[M]+ 291.15775 173.2
[M]- 291.15885 173.2
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.