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

12
Patents

270.13684 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.144116 162.8
[M+Na]+ 293.126058 171.0
[M-H]- 269.129564 164.4
[M+NH4]+ 288.170663 178.0
[M+K]+ 309.099998 166.4
[M+H-H2O]+ 253.134100 155.2
[M+HCOO]- 315.135041 178.5
[M+CH3COO]- 329.150691 201.8
[M+Na-2H]- 291.111506 163.5
[M]+ 270.13629142 162.4
[M]- 270.13738858 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