CID 96553

6687-74-7

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CC1=CC2=C(C=C1C)N(CCN2C(=O)C=C)C(=O)C=C
InChI
InChI=1S/C16H18N2O2/c1-5-15(19)17-7-8-18(16(20)6-2)14-10-12(4)11(3)9-13(14)17/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKey
VLNLQWCYBHWHIJ-UHFFFAOYSA-N
Compound name
1-(6,7-dimethyl-4-prop-2-enoyl-2,3-dihydroquinoxalin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

270.13684 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 164.4
[M+Na]+ 293.12606 176.7
[M+NH4]+ 288.17066 170.5
[M+K]+ 309.10000 170.4
[M-H]- 269.12956 164.5
[M+Na-2H]- 291.11151 167.2
[M]+ 270.13629 165.9
[M]- 270.13739 165.9
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

patents stripe