CID 205560

18188-70-0

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCN(CC)C1=CC=C(C=CC1=O)NC(=O)C
InChI
InChI=1S/C13H18N2O2/c1-4-15(5-2)12-8-6-11(14-10(3)16)7-9-13(12)17/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKey
GXAPLUKSBBLYHI-UHFFFAOYSA-N
Compound name
N-[4-(diethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 152.0
[M+Na]+ 257.12605 160.3
[M+NH4]+ 252.17065 158.1
[M+K]+ 273.09999 156.7
[M-H]- 233.12955 153.9
[M+Na-2H]- 255.11150 157.1
[M]+ 234.13628 153.5
[M]- 234.13738 153.5
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.