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]+ 292.165576 167.4
[M+Na]+ 314.147518 169.4
[M-H]- 290.151024 173.5
[M+NH4]+ 309.192123 178.3
[M+K]+ 330.121458 173.0
[M+H-H2O]+ 274.155560 158.3
[M+HCOO]- 336.156501 186.3
[M+CH3COO]- 350.172151 206.3
[M+Na-2H]- 312.132966 170.6
[M]+ 291.15775142 162.2
[M]- 291.15884858 162.2
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.