CID 340143

Nsc369982

Structural Information

Molecular Formula
C15H10N4O3
SMILES
CC(=O)NC1=CC2=C(C=CC(=C2)NC=C(C#N)C#N)OC1=O
InChI
InChI=1S/C15H10N4O3/c1-9(20)19-13-5-11-4-12(18-8-10(6-16)7-17)2-3-14(11)22-15(13)21/h2-5,8,18H,1H3,(H,19,20)
InChIKey
FZXPRLQGSDRZON-UHFFFAOYSA-N
Compound name
N-[6-(2,2-dicyanoethenylamino)-2-oxochromen-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0753 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08258 181.6
[M+Na]+ 317.06452 191.0
[M-H]- 293.06802 184.8
[M+NH4]+ 312.10912 190.5
[M+K]+ 333.03846 186.5
[M+H-H2O]+ 277.07256 165.1
[M+HCOO]- 339.07350 192.9
[M+CH3COO]- 353.08915 231.0
[M+Na-2H]- 315.04997 182.2
[M]+ 294.07475 173.7
[M]- 294.07585 173.7
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.