CID 367615

Nsc637447

Structural Information

Molecular Formula
C19H11ClN2O3
SMILES
C1=CC=C(C=C1)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl
InChI
InChI=1S/C19H11ClN2O3/c20-16-15(17(23)12-8-4-5-9-13(12)18(16)24)14(10-21)19(25)22-11-6-2-1-3-7-11/h1-9,14H,(H,22,25)
InChIKey
WJXMCGGGLJDFDA-UHFFFAOYSA-N
Compound name
2-(3-chloro-1,4-dioxonaphthalen-2-yl)-2-cyano-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0458 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.05308 186.4
[M+Na]+ 373.03502 197.5
[M-H]- 349.03852 192.3
[M+NH4]+ 368.07962 199.2
[M+K]+ 389.00896 188.7
[M+H-H2O]+ 333.04306 173.0
[M+HCOO]- 395.04400 199.8
[M+CH3COO]- 409.05965 223.3
[M+Na-2H]- 371.02047 187.6
[M]+ 350.04525 183.0
[M]- 350.04635 183.0
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.