CID 389248

Nsc685001

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=N
InChI
InChI=1S/C17H13ClN2O2/c18-13-6-7-15-12(8-13)9-14(16(19)22-15)17(21)20-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H,20,21)
InChIKey
ILPJANFJJUOYLT-UHFFFAOYSA-N
Compound name
N-benzyl-6-chloro-2-iminochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.06656 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 170.6
[M+Na]+ 335.05578 179.5
[M-H]- 311.05928 179.0
[M+NH4]+ 330.10038 185.2
[M+K]+ 351.02972 174.1
[M+H-H2O]+ 295.06382 162.9
[M+HCOO]- 357.06476 190.0
[M+CH3COO]- 371.08041 182.4
[M+Na-2H]- 333.04123 177.7
[M]+ 312.06601 173.1
[M]- 312.06711 173.1
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.