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 162.8
[M+Na]+ 293.12606 171.0
[M-H]- 269.12956 164.4
[M+NH4]+ 288.17066 178.0
[M+K]+ 309.10000 166.4
[M+H-H2O]+ 253.13410 155.2
[M+HCOO]- 315.13504 178.5
[M+CH3COO]- 329.15069 201.8
[M+Na-2H]- 291.11151 163.5
[M]+ 270.13629 162.4
[M]- 270.13739 162.4
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